Chemical Name: Hexanedioic acid, bis(2-ethylhexyl) ester
IUPAC Name: bis(2-ethylhexyl) adipate
CAS RN: 103-23-1
Description: single chemical compound
STRUCTURE Formula: C22H42O4
Molecular Weight: 370.5665
SMILES: CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC
Note:
Chemical Name: Nonanedioic acid, bis(2-ethylhexyl) ester
IUPAC Name: bis(2-ethylhexyl) azelaate
CAS RN: 103-24-2
Description: single chemical compound
STRUCTURE Formula: C25H48O4
Molecular Weight: 412.6462
SMILES: O=C(OCC(CC)CCCC)CCCCCCCC(OCC(CC)CCCC)=O
Note:
Chemical Name: Morpholine, 4,4'-dithiobis-
IUPAC Name: 4,4'-dithiodimorpholine
CAS RN: 103-34-4
Description: single chemical compound
STRUCTURE Formula: C8H16N2O2S2
Molecular Weight: 236.3548
SMILES: N1(SSN2CCOCC2)CCOCC1
Note:
Chemical Name: Benzenamine, N-ethyl-
IUPAC Name: N-ethylaniline
CAS RN: 103-69-5
Description: single chemical compound
STRUCTURE Formula: C8H11N
Molecular Weight: 121.1796
SMILES: N(c(cccc1)c1)CC
Note:
Chemical Name: 1-Piperazineethanol
IUPAC Name: 2-piperazin-1-ylethanol
CAS RN: 103-76-4
Description: single chemical compound
STRUCTURE Formula: C6H14N2O
Molecular Weight: 130.1882
SMILES: OCCN1CCNCC1
Note:
Chemical Name: Benzenesulfonic acid, 4-methyl-
IUPAC Name: 4-methylbenzenesulfonic acid
CAS RN: 104-15-4
Description: single chemical compound
STRUCTURE Formula: C7H8O3S
Molecular Weight: 172.2016
SMILES: O=S(C1=CC=C(C)C=C1)(O)=O
Note:
Chemical Name: Ethanol, 2,2'-[1,4-phenylenebis(oxy)]bis-
IUPAC Name: 2,2'-[1,4-phenylenebis(oxy)]diethanol
CAS RN: 104-38-1
Description: single chemical compound
STRUCTURE Formula: C10H14O4
Molecular Weight: 198.2158
SMILES: OCCOC1=CC=C(OCCO)C=C1
Note:
Chemical Name: Phenol, 4-dodecyl-
IUPAC Name: 4-dodecylphenol
CAS RN: 104-43-8
Description: single chemical compound
STRUCTURE Formula: C18H30O
Molecular Weight: 262.4302
SMILES: C1(=CC=C(C=C1)CCCCCCCCCCCC)O
Note:
Chemical Name: Benzene, 1-methoxy-4-(1-propenyl)-
IUPAC Name: 1-(methyloxy)-4-[(1Z)-prop-1-en-1-yl]benzene
CAS RN: 104-46-1
Description: mixture or formulation
STRUCTURE Formula: C10H12O
Molecular Weight: 148.2017
SMILES: CC=CC1=CC=C(C=C1)OC
Note: mixture of Z [25679-28-1], E [4180-23-8] isomers; structure shown Z, stereochem
Chemical Name: 2-Propenal, 3-phenyl-
IUPAC Name: (2E)-3-phenylacrylaldehyde
CAS RN: 104-55-2
Description: single chemical compound
STRUCTURE Formula: C9H8O
Molecular Weight: 132.1592
SMILES: O=C/C=C/C1=CC=CC=C1
Note: E-[14371-10-9], CASRN [104-55-2] is for the natural product which is >99% E, structure shown E, stereochem
Chemical Name: Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis-
IUPAC Name: 1,1'-[ethane-1,2-diylbis(oxy)]dibenzene
CAS RN: 104-66-5
Description: single chemical compound
STRUCTURE Formula: C14H14O2
Molecular Weight: 214.2598
SMILES: C1(OCCOC2=CC=CC=C2)=CC=CC=C1
Note:
Chemical Name: 1-Hexanamine, 2-ethyl-
IUPAC Name: 2-ethylhexan-1-amine
CAS RN: 104-75-6
Description: single chemical compound
STRUCTURE Formula: C8H19N
Molecular Weight: 129.2432
SMILES: NCC(CCCC)CC
Note:
Chemical Name: 1-Hexanol, 2-ethyl-
IUPAC Name: 2-ethylhexan-1-ol
CAS RN: 104-76-7
Description: single chemical compound
STRUCTURE Formula: C8H18O
Molecular Weight: 130.2279
SMILES: CCC(CCCC)CO
Note:
Chemical Name: Phenol, 4-nitroso-
IUPAC Name: 4-nitrosophenol
CAS RN: 104-91-6
Description: single chemical compound
STRUCTURE Formula: C6H5NO2
Molecular Weight: 123.1094
SMILES: O=Nc(ccc(O)c1)c1
Note:
Chemical Name: Benzene, 1-methoxy-4-methyl-
IUPAC Name: 1-methoxy-4-methylbenzene
CAS RN: 104-93-8
Description: single chemical compound
STRUCTURE Formula: C8H10O
Molecular Weight: 122.1644
SMILES: COC1=CC=C(C)C=C1
Note:
Chemical Name: Benzene, 1,4-diethyl-
IUPAC Name: 1,4-diethylbenzene
CAS RN: 105-05-5
Description: single chemical compound
STRUCTURE Formula: C10H14
Molecular Weight: 134.2182
SMILES: CCC1=CC=C(CC)C=C1
Note:
Chemical Name: 1,4-Cyclohexanedimethanol
IUPAC Name: cyclohexane-1,4-diyldimethanol
CAS RN: 105-08-8
Description: single chemical compound
STRUCTURE Formula: C8H16O2
Molecular Weight: 144.2114
SMILES: OCC1CCC(CO)CC1
Note:
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