2-(phenylmethyl)-4-sulfanyl-butane-1-sulfonic acid

Systemtic Name: 2-(phenylmethyl)-4-sulfanyl-butane-1-sulfonic acid Openeye Name: 2-benzyl-4-sulfanyl-butane-1-sulfonic acid CAS Name: 4-mercapto-2-(phenylmethyl)-1-butanesulfonic acid IUPAC Name: 2-benzyl-4-sulfanylbutane-1-sulfonic acid Traditional Name: 2-benzyl-4-mercapto-butane-1-sulfonic acid Formula: C11H16O3S2 MolecularWeight: 260.37294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O3S2/c12-16(13,14)9-11(6-7-15)8-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2,(H,12,13,14)