4-[(2-carboxyphenyl)sulfanylmethyl]-3-nitro-benzoic acid

Systemtic Name: 4-[(2-carboxyphenyl)sulfanylmethyl]-3-nitro-benzoic acid Openeye Name: 4-[(2-carboxyphenyl)sulfanylmethyl]-3-nitro-benzoic acid CAS Name: 4-[[(2-carboxyphenyl)thio]methyl]-3-nitrobenzoic acid IUPAC Name: 4-[(2-carboxyphenyl)sulfanylmethyl]-3-nitrobenzoic acid Traditional Name: 4-[[(2-carboxyphenyl)thio]methyl]-3-nitro-benzoic acid Formula: C15H11NO6S MolecularWeight: 333.31594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H11NO6S/c17-14(18)9-5-6-10(12(7-9)16(21)22)8-23-13-4-2-1-3-11(13)15(19)20/h1-7H,8H2,(H,17,18)(H,19,20)