methyl 1-(7-ethoxy-7-oxidanylidene-heptyl)-2-[(E)-1-(2-methylphenyl)sulfanyloct-2-enyl]-5-oxidanylidene-cyclopentane-1-carboxylate

Systemtic Name: methyl 1-(7-ethoxy-7-oxidanylidene-heptyl)-2-[(E)-1-(2-methylphenyl)sulfanyloct-2-enyl]-5-oxidanylidene-cyclopentane-1-carboxylate Openeye Name: methyl 1-(7-ethoxy-7-oxo-heptyl)-2-[(E)-1-(o-tolylsulfanyl)oct-2-enyl]-5-oxo-cyclopentanecarboxylate CAS Name: 1-(7-ethoxy-7-oxoheptyl)-2-[(E)-1-[(2-methylphenyl)thio]oct-2-enyl]-5-oxo-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl 1-(7-ethoxy-7-oxoheptyl)-2-[(E)-1-(2-methylphenyl)sulfanyloct-2-enyl]-5-oxocyclopentane-1-carboxylate Traditional Name: 1-(7-ethoxy-7-keto-heptyl)-2-keto-5-[(E)-1-(o-tolylthio)oct-2-enyl]cyclopentanecarboxylic acid methyl ester Formula: C31H46O5S MolecularWeight: 530.75894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC(C1CCC(=O)C1(CCCCCCC(=O)OCC)C(=O)OC)SC2=CC=CC=C2C

Isomeric SMILES

CCCCC/C=C/C(C1CCC(=O)C1(CCCCCCC(=O)OCC)C(=O)OC)SC2=CC=CC=C2C

InChI

InChI=1S/C31H46O5S/c1-5-7-8-9-12-19-27(37-26-18-15-14-17-24(26)3)25-21-22-28(32)31(25,30(34)35-4)23-16-11-10-13-20-29(33)36-6-2/h12,14-15,17-19,25,27H,5-11,13,16,20-23H2,1-4H3/b19-12+