methyl 1-(7-methoxy-7-oxidanylidene-heptyl)-2-[(E)-4-methyl-1-phenylsulfanyl-oct-2-enyl]-5-oxidanylidene-cyclopentane-1-carboxylate

Systemtic Name: methyl 1-(7-methoxy-7-oxidanylidene-heptyl)-2-[(E)-4-methyl-1-phenylsulfanyl-oct-2-enyl]-5-oxidanylidene-cyclopentane-1-carboxylate Openeye Name: methyl 1-(7-methoxy-7-oxo-heptyl)-2-[(E)-4-methyl-1-phenylsulfanyl-oct-2-enyl]-5-oxo-cyclopentanecarboxylate CAS Name: 1-(7-methoxy-7-oxoheptyl)-2-[(E)-4-methyl-1-(phenylthio)oct-2-enyl]-5-oxo-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl 1-(7-methoxy-7-oxoheptyl)-2-[(E)-4-methyl-1-phenylsulfanyloct-2-enyl]-5-oxocyclopentane-1-carboxylate Traditional Name: 2-keto-1-(7-keto-7-methoxy-heptyl)-5-[(E)-4-methyl-1-(phenylthio)oct-2-enyl]cyclopentanecarboxylic acid methyl ester Formula: C30H44O5S MolecularWeight: 516.73236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C=CC(C1CCC(=O)C1(CCCCCCC(=O)OC)C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

CCCCC(C)/C=C/C(C1CCC(=O)C1(CCCCCCC(=O)OC)C(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C30H44O5S/c1-5-6-14-23(2)18-20-26(36-24-15-10-9-11-16-24)25-19-21-27(31)30(25,29(33)35-4)22-13-8-7-12-17-28(32)34-3/h9-11,15-16,18,20,23,25-26H,5-8,12-14,17,19,21-22H2,1-4H3/b20-18+