methyl (E)-7-[2-[(E)-8-(4-methylphenyl)sulfinyloct-2-enyl]-5-oxidanylidene-cyclopentyl]hept-5-enoate

Systemtic Name: methyl (E)-7-[2-[(E)-8-(4-methylphenyl)sulfinyloct-2-enyl]-5-oxidanylidene-cyclopentyl]hept-5-enoate Openeye Name: methyl (E)-7-[2-oxo-5-[(E)-8-(p-tolylsulfinyl)oct-2-enyl]cyclopentyl]hept-5-enoate CAS Name: (E)-7-[2-[(E)-8-(4-methylphenyl)sulfinyloct-2-enyl]-5-oxocyclopentyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[2-[(E)-8-(4-methylphenyl)sulfinyloct-2-enyl]-5-oxocyclopentyl]hept-5-enoate Traditional Name: (E)-7-[2-keto-5-[(E)-8-(p-tolylsulfinyl)oct-2-enyl]cyclopentyl]hept-5-enoic acid methyl ester Formula: C28H40O4S MolecularWeight: 472.6798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)CCCCCC=CCC2CCC(=O)C2CC=CCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)CCCCC/C=C/CC2CCC(=O)C2C/C=C/CCCC(=O)OC

InChI

InChI=1S/C28H40O4S/c1-23-16-19-25(20-17-23)33(31)22-12-8-4-3-5-9-13-24-18-21-27(29)26(24)14-10-6-7-11-15-28(30)32-2/h5-6,9-10,16-17,19-20,24,26H,3-4,7-8,11-15,18,21-22H2,1-2H3/b9-5+,10-6+