(E)-20-(4-methylphenyl)sulfinylicos-11-enoic acid

Systemtic Name: (E)-20-(4-methylphenyl)sulfinylicos-11-enoic acid Openeye Name: (E)-20-(p-tolylsulfinyl)icos-11-enoic acid CAS Name: (E)-20-(4-methylphenyl)sulfinyl-11-eicosenoic acid IUPAC Name: (E)-20-(4-methylphenyl)sulfinylicos-11-enoic acid Traditional Name: (E)-20-(p-tolylsulfinyl)eicos-11-enoic acid Formula: C27H44O3S MolecularWeight: 448.70146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)CCCCCCCCC=CCCCCCCCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)CCCCCCCC/C=C/CCCCCCCCCC(=O)O

InChI

InChI=1S/C27H44O3S/c1-25-20-22-26(23-21-25)31(30)24-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-27(28)29/h2,4,20-23H,3,5-19,24H2,1H3,(H,28,29)/b4-2+