2-[(2-carboxyphenyl)sulfanyl-(3-nitrophenyl)methyl]sulfanylbenzoic acid

Systemtic Name: 2-[(2-carboxyphenyl)sulfanyl-(3-nitrophenyl)methyl]sulfanylbenzoic acid Openeye Name: 2-[(2-carboxyphenyl)sulfanyl-(3-nitrophenyl)methyl]sulfanylbenzoic acid CAS Name: 2-[[[(2-carboxyphenyl)thio]-(3-nitrophenyl)methyl]thio]benzoic acid IUPAC Name: 2-[(2-carboxyphenyl)sulfanyl-(3-nitrophenyl)methyl]sulfanylbenzoic acid Traditional Name: 2-[[[(2-carboxyphenyl)thio]-(3-nitrophenyl)methyl]thio]benzoic acid Formula: C21H15NO6S2 MolecularWeight: 441.4769

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SC(C2=CC(=CC=C2)[N+](=O)[O-])SC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SC(C2=CC(=CC=C2)[N+](=O)[O-])SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H15NO6S2/c23-19(24)15-8-1-3-10-17(15)29-21(13-6-5-7-14(12-13)22(27)28)30-18-11-4-2-9-16(18)20(25)26/h1-12,21H,(H,23,24)(H,25,26)