2-(ethylsulfonylmethyl)-4-oxidanylidene-5-(phenylmethyl)-6-sulfanyl-hexanoic acid

Systemtic Name: 2-(ethylsulfonylmethyl)-4-oxidanylidene-5-(phenylmethyl)-6-sulfanyl-hexanoic acid Openeye Name: 5-benzyl-2-(ethylsulfonylmethyl)-4-oxo-6-sulfanyl-hexanoic acid CAS Name: 2-(ethylsulfonylmethyl)-5-(mercaptomethyl)-4-oxo-6-phenylhexanoic acid IUPAC Name: 5-benzyl-2-(ethylsulfonylmethyl)-4-oxo-6-sulfanylhexanoic acid Traditional Name: 5-benzyl-2-(esylmethyl)-4-keto-6-mercapto-hexanoic acid Formula: C16H22O5S2 MolecularWeight: 358.47288

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CC(CC(=O)C(CC1=CC=CC=C1)CS)C(=O)O

Isomeric SMILES

CCS(=O)(=O)CC(CC(=O)C(CC1=CC=CC=C1)CS)C(=O)O

InChI

InChI=1S/C16H22O5S2/c1-2-23(20,21)11-14(16(18)19)9-15(17)13(10-22)8-12-6-4-3-5-7-12/h3-7,13-14,22H,2,8-11H2,1H3,(H,18,19)