3-[bis(oxidanyl)amino]-4-[(2-carboxyphenyl)sulfanylmethyl]benzoate

Systemtic Name: 3-[bis(oxidanyl)amino]-4-[(2-carboxyphenyl)sulfanylmethyl]benzoate Openeye Name: 4-[(2-carboxyphenyl)sulfanylmethyl]-3-(dihydroxyamino)benzoate CAS Name: 4-[[(2-carboxyphenyl)thio]methyl]-3-(dihydroxyamino)benzoate IUPAC Name: 4-[(2-carboxyphenyl)sulfanylmethyl]-3-(dihydroxyamino)benzoate Traditional Name: 4-[[(2-carboxyphenyl)thio]methyl]-3-(dihydroxyamino)benzoate Formula: C15H12NO6S- MolecularWeight: 334.32388

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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/C15H13NO6S/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/h1-7,21-22H,8H2,(H,17,18)(H,19,20)/p-1