methyl 1-(7-methoxy-7-oxidanylidene-heptyl)-2-oxidanylidene-5-[(E)-1-phenylsulfanylnon-2-en-2-yl]cyclopentane-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=C(CSC1=CC=CC=C1)C2CCC(=O)C2(CCCCCCC(=O)OC)C(=O)OC

Isomeric SMILES

CCCCCC/C=C(/CSC1=CC=CC=C1)\C2CCC(=O)C2(CCCCCCC(=O)OC)C(=O)OC

InChI

InChI=1S/C30H44O5S/c1-4-5-6-7-11-16-24(23-36-25-17-12-10-13-18-25)26-20-21-27(31)30(26,29(33)35-3)22-15-9-8-14-19-28(32)34-2/h10,12-13,16-18,26H,4-9,11,14-15,19-23H2,1-3H3/b24-16-