2-[2,3-bis(sulfanyl)propylcarbamoyl]benzoic acid

Systemtic Name: 2-[2,3-bis(sulfanyl)propylcarbamoyl]benzoic acid Openeye Name: 2-[2,3-bis(sulfanyl)propylcarbamoyl]benzoic acid CAS Name: 2-[(2,3-dimercaptopropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2,3-bis(sulfanyl)propylcarbamoyl]benzoic acid Traditional Name: 2-(2,3-dimercaptopropylcarbamoyl)benzoic acid Formula: C11H13NO3S2 MolecularWeight: 271.35582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC(CS)S)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC(CS)S)C(=O)O

InChI

InChI=1S/C11H13NO3S2/c13-10(12-5-7(17)6-16)8-3-1-2-4-9(8)11(14)15/h1-4,7,16-17H,5-6H2,(H,12,13)(H,14,15)