1,3-bis(sulfanyl)propan-2-yl benzoate

Systemtic Name: 1,3-bis(sulfanyl)propan-2-yl benzoate Openeye Name: [2-sulfanyl-1-(sulfanylmethyl)ethyl] benzoate CAS Name: benzoic acid 1,3-dimercaptopropan-2-yl ester IUPAC Name: 1,3-bis(sulfanyl)propan-2-yl benzoate Traditional Name: benzoic acid [2-mercapto-1-(mercaptomethyl)ethyl] ester Formula: C10H12O2S2 MolecularWeight: 228.33108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(CS)CS

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC(CS)CS

InChI

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