(3R,4S)-4-oxidanyl-3-phenylsulfanyl-hept-6-enoic acid

Systemtic Name: (3R,4S)-4-oxidanyl-3-phenylsulfanyl-hept-6-enoic acid Openeye Name: (3R,4S)-4-hydroxy-3-phenylsulfanyl-hept-6-enoic acid CAS Name: (3R,4S)-4-hydroxy-3-(phenylthio)-6-heptenoic acid IUPAC Name: (3R,4S)-4-hydroxy-3-phenylsulfanylhept-6-enoic acid Traditional Name: (3R,4S)-4-hydroxy-3-(phenylthio)hept-6-enoic acid Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(CC(=O)O)SC1=CC=CC=C1)O

Isomeric SMILES

C=CC[C@@H]([C@@H](CC(=O)O)SC1=CC=CC=C1)O

InChI

InChI=1S/C13H16O3S/c1-2-6-11(14)12(9-13(15)16)17-10-7-4-3-5-8-10/h2-5,7-8,11-12,14H,1,6,9H2,(H,15,16)/t11-,12+/m0/s1