(3R,4S)-4-oxidanyl-4-(2-oxidanylidenecyclohexyl)-3-phenylsulfanyl-butanoic acid

Systemtic Name: (3R,4S)-4-oxidanyl-4-(2-oxidanylidenecyclohexyl)-3-phenylsulfanyl-butanoic acid Openeye Name: (3R,4S)-4-hydroxy-4-(2-oxocyclohexyl)-3-phenylsulfanyl-butanoic acid CAS Name: (3R,4S)-4-hydroxy-4-(2-oxocyclohexyl)-3-(phenylthio)butanoic acid IUPAC Name: (3R,4S)-4-hydroxy-4-(2-oxocyclohexyl)-3-phenylsulfanylbutanoic acid Traditional Name: (3R,4S)-4-hydroxy-4-(2-ketocyclohexyl)-3-(phenylthio)butyric acid Formula: C16H20O4S MolecularWeight: 308.3926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)C(C(CC(=O)O)SC2=CC=CC=C2)O

Isomeric SMILES

C1CCC(=O)C(C1)[C@@H]([C@@H](CC(=O)O)SC2=CC=CC=C2)O

InChI

InChI=1S/C16H20O4S/c17-13-9-5-4-8-12(13)16(20)14(10-15(18)19)21-11-6-2-1-3-7-11/h1-3,6-7,12,14,16,20H,4-5,8-10H2,(H,18,19)/t12?,14-,16+/m1/s1