propan-2-yl 10-oxidanyl-11-phenylsulfanyl-undecanoate

Systemtic Name: propan-2-yl 10-oxidanyl-11-phenylsulfanyl-undecanoate Openeye Name: isopropyl 10-hydroxy-11-phenylsulfanyl-undecanoate CAS Name: 10-hydroxy-11-(phenylthio)undecanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 10-hydroxy-11-phenylsulfanylundecanoate Traditional Name: 10-hydroxy-11-(phenylthio)undecanoic acid isopropyl ester Formula: C20H32O3S MolecularWeight: 352.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCCCCCCCC(CSC1=CC=CC=C1)O

Isomeric SMILES

CC(C)OC(=O)CCCCCCCCC(CSC1=CC=CC=C1)O

InChI

InChI=1S/C20H32O3S/c1-17(2)23-20(22)15-11-6-4-3-5-8-12-18(21)16-24-19-13-9-7-10-14-19/h7,9-10,13-14,17-18,21H,3-6,8,11-12,15-16H2,1-2H3