Chemical Name: 2-Butanone, 1-chloro-3,3-dimethyl-
IUPAC Name: 1-chloro-3,3-dimethylbutan-2-one
CAS RN: 13547-70-1
Description: single chemical compound
STRUCTURE Formula: C6H11ClO
Molecular Weight: 134.6039
SMILES: O=C(C(C)(C)C)CCl
Note:
Chemical Name: 1,4:7,10-Dimethanodibenzo[a,e]cyclooctene, 1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-
IUPAC Name: 1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4:7,10-dimethanodibenzo[a,e][8]annulene
CAS RN: 13560-89-9
Description: single chemical compound
STRUCTURE Formula: C18H12Cl12
Molecular Weight: 653.7239
SMILES: ClC5(C(Cl)=C(Cl)C(Cl)4C(Cl)5Cl)C1C4CCC(C3(Cl)C(Cl)=C(Cl)C(Cl)2C(Cl)3Cl)C2CC1
Note:
Chemical Name: 4-Thiazolecarboximidamide, N-phenyl-, hydrochloride
IUPAC Name: N-phenyl-1,3-thiazole-4-carboximidamide hydrochloride
CAS RN: 13631-64-6
Description: single chemical compound
STRUCTURE Formula: C10H10ClN3S
Molecular Weight: 239.7245
SMILES: N=C(NC2=CC=CC=C2)C1=CSC=N1.Cl
Note:
Chemical Name: 2-Propanol, 1-chloro-, phosphate (3:1)
IUPAC Name: tris(2-chloro-1-methylethyl) phosphate
CAS RN: 13674-84-5
Description: single chemical compound
STRUCTURE Formula: C9H18Cl3O4P
Molecular Weight: 327.5696
SMILES: O=P(OC(CCl)C)(OC(CCl)C)OC(CCl)C
Note:
Chemical Name: 2-Propanol, 1,3-dichloro-, phosphate (3:1)
IUPAC Name: tris[2-chloro-1-(chloromethyl)ethyl] phosphate
CAS RN: 13674-87-8
Description: single chemical compound
STRUCTURE Formula: C9H15Cl6O4P
Molecular Weight: 430.9048
SMILES: O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl
Note:
Chemical Name: Ethanimidothioic acid, N-hydroxy-, methyl ester
IUPAC Name: methyl (1E)-N-hydroxyethanimidothioate
CAS RN: 13749-94-5
Description: single chemical compound
STRUCTURE Formula: C3H7NOS
Molecular Weight: 105.1588
SMILES: O/N=C(SC)C
Note:
Chemical Name: Morpholine, 4-[(4-morpholinylthio)thioxomethyl]-
IUPAC Name: 4-[(morpholin-4-ylcarbonothioyl)thio]morpholine
CAS RN: 13752-51-7
Description: single chemical compound
STRUCTURE Formula: C9H16N2O2S2
Molecular Weight: 248.3655
SMILES: S=C(N1CCOCC1)SN1CCOCC1
Note:
Chemical Name: Benzenemethanol, 3-phenoxy-
IUPAC Name: (3-phenoxyphenyl)methanol
CAS RN: 13826-35-2
Description: single chemical compound
STRUCTURE Formula: C13H12O2
Molecular Weight: 200.2332
SMILES: OCC1=CC=CC(OC2=CC=CC=C2)=C1
Note:
Chemical Name: Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxyethyl)methylamino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt
IUPAC Name: disodium 2,2'-(E)-ethene-1,2-diylbis[5-({4-anilino-6-[(2-hydroxyethyl)(methyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]
CAS RN: 13863-31-5
Description: single chemical compound
STRUCTURE Formula: C38H38N12Na2O8S2
Molecular Weight: 900.8935
SMILES: O=S(C1=CC(NC3=NC(NC4=CC=CC=C4)=NC(N(C)CCO)=N3)=CC=C1/C=C/C2=CC=C(NC5=NC(NC6=CC=CC=C6)=NC(N(C)CCO)=N5)C=C2S(=O)([O-])=O)([O-])=O.[Na+].[Na+]
Note: stereochem
Chemical Name: Carbonochloridothioic acid, S-propyl ester
IUPAC Name: S-propyl chloridothiocarbonate
CAS RN: 13889-92-4
Description: single chemical compound
STRUCTURE Formula: C4H7ClOS
Molecular Weight: 138.6158
SMILES: O=C(SCCC)Cl
Note:
Chemical Name: Butanenitrile, 2-amino-2,3-dimethyl-
IUPAC Name: 2-amino-2,3-dimethylbutanenitrile
CAS RN: 13893-53-3
Description: single chemical compound
STRUCTURE Formula: C6H12N2
Molecular Weight: 112.1729
SMILES: N#CC(N)(C)C(C)C
Note:
Chemical Name: Nickel, bis(dibutylcarbamodithioato-.kappa.S,.kappa.S')-, (SP-4-1)-
IUPAC Name: nickel(2+) bis(dibutyldithiocarbamate)
CAS RN: 13927-77-0
Description: single chemical compound
STRUCTURE Formula: C18H36N2NiS4
Molecular Weight: 467.4452
SMILES: S=C(N(CCCC)CCCC)S[Ni]SC(=S)N(CCCC)CCCC
Note:
Chemical Name: 2-Butanamine
IUPAC Name: butan-2-amine
CAS RN: 13952-84-6
Description: single chemical compound
STRUCTURE Formula: C4H11N
Molecular Weight: 73.1368
SMILES: CCC(N)C
Note: mixture 2R [513-49-5],2S [13240-12-9], structure shown without stereochem, retired CASRN [33966-50-6]
Chemical Name: Ethanol, 2-ethoxy-, magnesium salt
IUPAC Name: magnesium bis(2-ethoxyethanolate)
CAS RN: 14064-03-0
Description: single chemical compound
STRUCTURE Formula: C8H18MgO4
Molecular Weight: 202.5311
SMILES: [O-]CCOCC.[O-]CCOCC.[Mg+2]
Note: parent [110-80-5]
Chemical Name: 2-Pyridinecarbonitrile, 4-amino-3,5,6-trichloro-
IUPAC Name: 4-amino-3,5,6-trichloropyridine-2-carbonitrile
CAS RN: 14143-60-3
Description: single chemical compound
STRUCTURE Formula: C6H2Cl3N3
Molecular Weight: 222.4592
SMILES: N#CC1=C(Cl)C(N)=C(Cl)C(Cl)=N1
Note:
Chemical Name: Decanamide, N,N-dimethyl-
IUPAC Name: N,N-dimethyldecanamide
CAS RN: 14433-76-2
Description: single chemical compound
STRUCTURE Formula: C12H25NO
Molecular Weight: 199.333
SMILES: O=C(N(C)C)CCCCCCCCC
Note:
Chemical Name: Nonanoic acid, 2,2-bis[[(1-oxononyl)oxy]methyl]-1,3-propanediyl ester
IUPAC Name: 3-(nonanoyloxy)-2,2-bis[(nonanoyloxy)methyl]propyl nonanoate (non-preferred name)
CAS RN: 14450-05-6
Description: single chemical compound
STRUCTURE Formula: C41H76O8
Molecular Weight: 697.0373
SMILES: O=C(OCC(COC(CCCCCCCC)=O)(COC(CCCCCCCC)=O)COC(CCCCCCCC)=O)CCCCCCCC
Note:
Chemical Name: 1-Octanol, aluminum salt
IUPAC Name: aluminum trioctan-1-olate
CAS RN: 14624-13-6
Description: single chemical compound
STRUCTURE Formula: C24H51AlO3
Molecular Weight: 414.6415
SMILES: [O-]CCCCCCCC.[O-]CCCCCCCC.[O-]CCCCCCCC.[Al+3]
Note:
Chemical Name: 1-Dodecanol, aluminum salt
IUPAC Name: aluminum tridodecan-1-olate
CAS RN: 14624-15-8
Description: single chemical compound
STRUCTURE Formula: C36H75AlO3
Molecular Weight: 582.9604
SMILES: [O-]CCCCCCCCCCCC.[O-]CCCCCCCCCCCC.[O-]CCCCCCCCCCCC.[Al+3]
Note:
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