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

Systemtic Name: methyl 1-(7-methoxy-7-oxidanylidene-heptyl)-2-oxidanylidene-5-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentane-1-carboxylate Openeye Name: methyl 1-(7-methoxy-7-oxo-heptyl)-2-oxo-5-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentanecarboxylate CAS Name: 1-(7-methoxy-7-oxoheptyl)-2-oxo-5-[(E)-1-(phenylthio)oct-2-enyl]-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl 1-(7-methoxy-7-oxoheptyl)-2-oxo-5-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentane-1-carboxylate Traditional Name: 2-keto-1-(7-keto-7-methoxy-heptyl)-5-[(E)-1-(phenylthio)oct-2-enyl]cyclopentanecarboxylic acid methyl ester Formula: C29H42O5S MolecularWeight: 502.70578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42O5S/c1-4-5-6-7-13-18-25(35-23-16-11-10-12-17-23)24-20-21-26(30)29(24,28(32)34-3)22-15-9-8-14-19-27(31)33-2/h10-13,16-18,24-25H,4-9,14-15,19-22H2,1-3H3/b18-13+