4-(4-methyl-3-phenyl-phenyl)sulfanyl-5-nitro-thiophene-2-carboxylic acid

Systemtic Name: 4-(4-methyl-3-phenyl-phenyl)sulfanyl-5-nitro-thiophene-2-carboxylic acid Openeye Name: 4-(4-methyl-3-phenyl-phenyl)sulfanyl-5-nitro-thiophene-2-carboxylic acid CAS Name: 4-[(4-methyl-3-phenylphenyl)thio]-5-nitro-2-thiophenecarboxylic acid IUPAC Name: 4-(4-methyl-3-phenylphenyl)sulfanyl-5-nitrothiophene-2-carboxylic acid Traditional Name: 4-[(4-methyl-3-phenyl-phenyl)thio]-5-nitro-2-thenoic acid Formula: C18H13NO4S2 MolecularWeight: 371.43012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(SC(=C2)C(=O)O)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(SC(=C2)C(=O)O)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H13NO4S2/c1-11-7-8-13(9-14(11)12-5-3-2-4-6-12)24-15-10-16(18(20)21)25-17(15)19(22)23/h2-10H,1H3,(H,20,21)