methyl (E)-7-[2-[(E)-8-(4-methylphenyl)sulfinyloct-2-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoate

Systemtic Name: methyl (E)-7-[2-[(E)-8-(4-methylphenyl)sulfinyloct-2-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoate Openeye Name: methyl (E)-7-[3-hydroxy-5-oxo-2-[(E)-8-(p-tolylsulfinyl)oct-2-enyl]cyclopentyl]hept-5-enoate CAS Name: (E)-7-[3-hydroxy-2-[(E)-8-(4-methylphenyl)sulfinyloct-2-enyl]-5-oxocyclopentyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[3-hydroxy-2-[(E)-8-(4-methylphenyl)sulfinyloct-2-enyl]-5-oxocyclopentyl]hept-5-enoate Traditional Name: (E)-7-[3-hydroxy-5-keto-2-[(E)-8-(p-tolylsulfinyl)oct-2-enyl]cyclopentyl]hept-5-enoic acid methyl ester Formula: C28H40O5S MolecularWeight: 488.6792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)CCCCCC=CCC2C(CC(=O)C2CC=CCCCC(=O)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)CCCCC/C=C/CC2C(CC(=O)C2C/C=C/CCCC(=O)OC)O

InChI

InChI=1S/C28H40O5S/c1-22-16-18-23(19-17-22)34(32)20-12-8-4-3-5-9-13-24-25(27(30)21-26(24)29)14-10-6-7-11-15-28(31)33-2/h5-6,9-10,16-19,24-26,29H,3-4,7-8,11-15,20-21H2,1-2H3/b9-5+,10-6+