(2R,3S)-2-methyl-3-oxidanyl-3-(1-phenylsulfanylcyclohexyl)propanoic acid

Systemtic Name: (2R,3S)-2-methyl-3-oxidanyl-3-(1-phenylsulfanylcyclohexyl)propanoic acid Openeye Name: (2R,3S)-3-hydroxy-2-methyl-3-(1-phenylsulfanylcyclohexyl)propanoic acid CAS Name: (2R,3S)-3-hydroxy-2-methyl-3-[1-(phenylthio)cyclohexyl]propanoic acid IUPAC Name: (2R,3S)-3-hydroxy-2-methyl-3-(1-phenylsulfanylcyclohexyl)propanoic acid Traditional Name: (2R,3S)-3-hydroxy-2-methyl-3-[1-(phenylthio)cyclohexyl]propionic acid Formula: C16H22O3S MolecularWeight: 294.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1(CCCCC1)SC2=CC=CC=C2)O)C(=O)O

Isomeric SMILES

C[C@H]([C@@H](C1(CCCCC1)SC2=CC=CC=C2)O)C(=O)O

InChI

InChI=1S/C16H22O3S/c1-12(15(18)19)14(17)16(10-6-3-7-11-16)20-13-8-4-2-5-9-13/h2,4-5,8-9,12,14,17H,3,6-7,10-11H2,1H3,(H,18,19)/t12-,14+/m1/s1