ethyl 8-oxidanylidene-8-[4-(3-sulfanylidenecyclohexa-1,5-dien-1-yl)phenyl]octanoate

Systemtic Name: ethyl 8-oxidanylidene-8-[4-(3-sulfanylidenecyclohexa-1,5-dien-1-yl)phenyl]octanoate Openeye Name: ethyl 8-oxo-8-[4-(3-thioxocyclohexa-1,5-dien-1-yl)phenyl]octanoate CAS Name: 8-oxo-8-[4-(3-sulfanylidene-1-cyclohexa-1,5-dienyl)phenyl]octanoic acid ethyl ester IUPAC Name: ethyl 8-oxo-8-[4-(3-sulfanylidenecyclohexa-1,5-dien-1-yl)phenyl]octanoate Traditional Name: 8-keto-8-[4-(3-thioxocyclohexa-1,5-dien-1-yl)phenyl]caprylic acid ethyl ester Formula: C22H26O3S MolecularWeight: 370.50504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCC(=O)C1=CC=C(C=C1)C2=CC(=S)CC=C2

Isomeric SMILES

CCOC(=O)CCCCCCC(=O)C1=CC=C(C=C1)C2=CC(=S)CC=C2

InChI

InChI=1S/C22H26O3S/c1-2-25-22(24)11-6-4-3-5-10-21(23)18-14-12-17(13-15-18)19-8-7-9-20(26)16-19/h7-8,12-16H,2-6,9-11H2,1H3