(E)-2-(4-methylphenyl)sulfinyl-3-oxidanyl-icos-11-enoate

Systemtic Name: (E)-2-(4-methylphenyl)sulfinyl-3-oxidanyl-icos-11-enoate Openeye Name: (E)-3-hydroxy-2-(p-tolylsulfinyl)icos-11-enoate CAS Name: (E)-3-hydroxy-2-(4-methylphenyl)sulfinyl-11-eicosenoate IUPAC Name: (E)-3-hydroxy-2-(4-methylphenyl)sulfinylicos-11-enoate Traditional Name: (E)-3-hydroxy-2-(p-tolylsulfinyl)eicos-11-enoate Formula: C27H43O4S- MolecularWeight: 463.69292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(C(C(=O)[O-])S(=O)C1=CC=C(C=C1)C)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(C(C(=O)[O-])S(=O)C1=CC=C(C=C1)C)O

InChI

InChI=1S/C27H44O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(28)26(27(29)30)32(31)24-21-19-23(2)20-22-24/h10-11,19-22,25-26,28H,3-9,12-18H2,1-2H3,(H,29,30)/p-1/b11-10+