Chemical Name: Methanaminium, N,N,N-trimethyl-, chloride
IUPAC Name: N,N,N-trimethylmethanaminium chloride
CAS RN: 75-57-0
Description: single chemical compound
STRUCTURE Formula: C4H12ClN
Molecular Weight: 109.5978
SMILES: [N+](C)(C)(C)C.[Cl-]
Note: ammonium
Chemical Name: Methanaminium, N,N,N-trimethyl-, hydroxide
IUPAC Name: N,N,N-trimethylmethanaminium hydroxide
CAS RN: 75-59-2
Description: single chemical compound
STRUCTURE Formula: C4H13NO
Molecular Weight: 91.1521
SMILES: C[N+](C)(C)C.[OH-]
Note: parent [51-92-3]
Chemical Name: Ethanol, 2,2,2-trifluoro-
IUPAC Name: 2,2,2-trifluoroethanol
CAS RN: 75-89-8
Description: single chemical compound
STRUCTURE Formula: C2H3F3O
Molecular Weight: 100.0398
SMILES: C(F)(F)(F)CO
Note:
Chemical Name: 3-Octanol, 3,7-dimethyl-
IUPAC Name: 3,7-dimethyloctan-3-ol
CAS RN: 78-69-3
Description: single chemical compound
STRUCTURE Formula: C10H22O
Molecular Weight: 158.2811
SMILES: OC(CCCC(C)C)(C)CC
Note:
Chemical Name: Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-amino-
IUPAC Name: 2,2'-(E)-ethene-1,2-diylbis(5-aminobenzenesulfonic acid)
CAS RN: 81-11-8
Description: mixture or formulation
STRUCTURE Formula: C14H14N2O6S2
Molecular Weight: 370.4008
SMILES: S(=O)(=O)(O)c1cc(N)ccc1C=Cc2ccc(N)cc2S(=O)(=O)O
Note: mixture of Z,E isomers structure shown E, stereochem
Chemical Name: Benzene, pentachloronitro-
IUPAC Name: 1,2,3,4,5-pentachloro-6-nitrobenzene
CAS RN: 82-68-8
Description: single chemical compound
STRUCTURE Formula: C6Cl5NO2
Molecular Weight: 295.3347
SMILES: ClC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)[N+](=O)[O-]
Note:
Chemical Name: Phenol, 2-nitro-
IUPAC Name: 2-nitrophenol
CAS RN: 88-75-5
Description: single chemical compound
STRUCTURE Formula: C6H5NO3
Molecular Weight: 139.1088
SMILES: OC1=C([N+]([O-])=O)C=CC=C1
Note:
Chemical Name: 1,2-Benzenedicarboxylic acid
IUPAC Name: phthalic acid
CAS RN: 88-99-3
Description: single chemical compound
STRUCTURE Formula: C8H6O4
Molecular Weight: 166.1308
SMILES: OC(C1=CC=CC=C1C(O)=O)=O
Note:
Chemical Name: Phenol, 2-methoxy-
IUPAC Name: 2-methoxyphenol
CAS RN: 90-05-1
Description: single chemical compound
STRUCTURE Formula: C7H8O2
Molecular Weight: 124.1372
SMILES: C1=CC=CC(OC)=C1O
Note:
Chemical Name: Naphthalene, 2-methyl-
IUPAC Name: 2-methylnaphthalene
CAS RN: 91-57-6
Description: single chemical compound
STRUCTURE Formula: C11H10
Molecular Weight: 142.1971
SMILES: CC2=CC1=CC=CC=C1C=C2
Note:
Chemical Name: 1,1':3',1''-Terphenyl
IUPAC Name: 1,1':3',1''-terphenyl
CAS RN: 92-06-8
Description: single chemical compound
STRUCTURE Formula: C18H14
Molecular Weight: 230.3038
SMILES: C1(C2=CC(C3=CC=CC=C3)=CC=C2)=CC=CC=C1
Note:
Chemical Name: Benzenemethanamine, N-ethyl-N-phenyl-
IUPAC Name: N-benzyl-N-ethylaniline
CAS RN: 92-59-1
Description: single chemical compound
STRUCTURE Formula: C15H17N
Molecular Weight: 211.3022
SMILES: CCN(CC1=CC=CC=C1)C2=CC=CC=C2
Note:
Chemical Name: 10H-Phenothiazine
IUPAC Name: 10H-phenothiazine
CAS RN: 92-84-2
Description: single chemical compound
STRUCTURE Formula: C12H9NS
Molecular Weight: 199.2716
SMILES: N1C2=C(C=CC=C2)SC3=CC=CC=C13
Note:
Chemical Name: [1,1'-Biphenyl]-4,4'-diol
IUPAC Name: biphenyl-4,4'-diol
CAS RN: 92-88-6
Description: single chemical compound
STRUCTURE Formula: C12H10O2
Molecular Weight: 186.2066
SMILES: OC2=CC=C(C=C2)C1=CC=C(O)C=C1
Note:
Chemical Name: 1,1':4',1''-Terphenyl
IUPAC Name: 1,1':4',1''-terphenyl
CAS RN: 92-94-4
Description: single chemical compound
STRUCTURE Formula: C18H14
Molecular Weight: 230.3038
SMILES: C1(C2=CC=C(C3=CC=CC=C3)C=C2)=CC=CC=C1
Note:
Chemical Name: Benzoic acid, anhydride
IUPAC Name: benzoic anhydride
CAS RN: 93-97-0
Description: single chemical compound
STRUCTURE Formula: C14H10O3
Molecular Weight: 226.2274
SMILES: O=C(OC(C2=CC=CC=C2)=O)C1=CC=CC=C1
Note:
Chemical Name: 1,4-Benzenediamine, 2-methyl-
IUPAC Name: 2-methylbenzene-1,4-diamine
CAS RN: 95-70-5
Description: single chemical compound
STRUCTURE Formula: C7H10N2
Molecular Weight: 122.1677
SMILES: NC1=C(C)C=C(N)C=C1
Note:
Chemical Name: Benzene, 1,2,4,5-tetramethyl-
IUPAC Name: 1,2,4,5-tetramethylbenzene
CAS RN: 95-93-2
Description: single chemical compound
STRUCTURE Formula: C10H14
Molecular Weight: 134.2182
SMILES: CC1=CC(C)=C(C)C=C1C
Note:
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