(3R,4S)-4-oxidanyl-3-phenylsulfanyl-dodecanoic acid

Systemtic Name: (3R,4S)-4-oxidanyl-3-phenylsulfanyl-dodecanoic acid Openeye Name: (3R,4S)-4-hydroxy-3-phenylsulfanyl-dodecanoic acid CAS Name: (3R,4S)-4-hydroxy-3-(phenylthio)dodecanoic acid IUPAC Name: (3R,4S)-4-hydroxy-3-phenylsulfanyldodecanoic acid Traditional Name: (3R,4S)-4-hydroxy-3-(phenylthio)lauric acid Formula: C18H28O3S MolecularWeight: 324.47812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28O3S/c1-2-3-4-5-6-10-13-16(19)17(14-18(20)21)22-15-11-8-7-9-12-15/h7-9,11-12,16-17,19H,2-6,10,13-14H2,1H3,(H,20,21)/t16-,17+/m0/s1