2-[4-(4-carboxyphenyl)sulfanyl-3-nitro-phenyl]carbonylbenzoic acid

Systemtic Name: 2-[4-(4-carboxyphenyl)sulfanyl-3-nitro-phenyl]carbonylbenzoic acid Openeye Name: 2-[4-(4-carboxyphenyl)sulfanyl-3-nitro-benzoyl]benzoic acid CAS Name: 2-[[4-[(4-carboxyphenyl)thio]-3-nitrophenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-(4-carboxyphenyl)sulfanyl-3-nitrobenzoyl]benzoic acid Traditional Name: 2-[4-[(4-carboxyphenyl)thio]-3-nitro-benzoyl]benzoic acid Formula: C21H13NO7S MolecularWeight: 423.39542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H13NO7S/c23-19(15-3-1-2-4-16(15)21(26)27)13-7-10-18(17(11-13)22(28)29)30-14-8-5-12(6-9-14)20(24)25/h1-11H,(H,24,25)(H,26,27)