1-(7-methoxy-7-oxidanylidene-heptyl)-2-oxidanylidene-5-(phenylsulfanylmethyl)cyclopentane-1-carboxylic acid

Systemtic Name: 1-(7-methoxy-7-oxidanylidene-heptyl)-2-oxidanylidene-5-(phenylsulfanylmethyl)cyclopentane-1-carboxylic acid Openeye Name: 1-(7-methoxy-7-oxo-heptyl)-2-oxo-5-(phenylsulfanylmethyl)cyclopentanecarboxylic acid CAS Name: 1-(7-methoxy-7-oxoheptyl)-2-oxo-5-[(phenylthio)methyl]-1-cyclopentanecarboxylic acid IUPAC Name: 1-(7-methoxy-7-oxoheptyl)-2-oxo-5-(phenylsulfanylmethyl)cyclopentane-1-carboxylic acid Traditional Name: 2-keto-1-(7-keto-7-methoxy-heptyl)-5-[(phenylthio)methyl]cyclopentanecarboxylic acid Formula: C21H28O5S MolecularWeight: 392.50902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCC1(C(CCC1=O)CSC2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC(=O)CCCCCCC1(C(CCC1=O)CSC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H28O5S/c1-26-19(23)11-7-2-3-8-14-21(20(24)25)16(12-13-18(21)22)15-27-17-9-5-4-6-10-17/h4-6,9-10,16H,2-3,7-8,11-15H2,1H3,(H,24,25)