(E)-8,11-bis(oxidanyl)-2-phenylsulfanyl-5-propan-2-yl-undec-2-enoate

Systemtic Name: (E)-8,11-bis(oxidanyl)-2-phenylsulfanyl-5-propan-2-yl-undec-2-enoate Openeye Name: (E)-8,11-dihydroxy-5-isopropyl-2-phenylsulfanyl-undec-2-enoate CAS Name: (E)-8,11-dihydroxy-2-(phenylthio)-5-propan-2-yl-2-undecenoate IUPAC Name: (E)-8,11-dihydroxy-2-phenylsulfanyl-5-propan-2-ylundec-2-enoate Traditional Name: (E)-8,11-dihydroxy-5-isopropyl-2-(phenylthio)undec-2-enoate Formula: C20H29O4S- MolecularWeight: 365.50686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(CCCO)O)CC=C(C(=O)[O-])SC1=CC=CC=C1

Isomeric SMILES

CC(C)C(CCC(CCCO)O)C/C=C(\C(=O)[O-])/SC1=CC=CC=C1

InChI

InChI=1S/C20H30O4S/c1-15(2)16(10-12-17(22)7-6-14-21)11-13-19(20(23)24)25-18-8-4-3-5-9-18/h3-5,8-9,13,15-17,21-22H,6-7,10-12,14H2,1-2H3,(H,23,24)/p-1/b19-13+