2-[1,3-bis(sulfanyl)propyl]benzoic acid

Systemtic Name: 2-[1,3-bis(sulfanyl)propyl]benzoic acid Openeye Name: 2-[1,3-bis(sulfanyl)propyl]benzoic acid CAS Name: 2-(1,3-dimercaptopropyl)benzoic acid IUPAC Name: 2-[1,3-bis(sulfanyl)propyl]benzoic acid Traditional Name: 2-(1,3-dimercaptopropyl)benzoic acid Formula: C10H12O2S2 MolecularWeight: 228.33108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(CCS)S)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(CCS)S)C(=O)O

InChI

InChI=1S/C10H12O2S2/c11-10(12)8-4-2-1-3-7(8)9(14)5-6-13/h1-4,9,13-14H,5-6H2,(H,11,12)