4-[(9E,12E)-octadeca-9,12-dienyl]-1-oxidanylidene-2H-thiophen-5-one

Systemtic Name: 4-[(9E,12E)-octadeca-9,12-dienyl]-1-oxidanylidene-2H-thiophen-5-one Openeye Name: 4-[(9E,12E)-octadeca-9,12-dienyl]-1-oxo-2H-thiophen-5-one CAS Name: 4-[(9E,12E)-octadeca-9,12-dienyl]-1-oxo-2H-thiophen-5-one IUPAC Name: 4-[(9E,12E)-octadeca-9,12-dienyl]-1-oxo-2H-thiophen-5-one Traditional Name: 1-keto-4-[(9E,12E)-octadeca-9,12-dienyl]-2H-thiophen-5-one Formula: C22H36O2S MolecularWeight: 364.58504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCCC1=CCS(=O)C1=O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCCC1=CCS(=O)C1=O

InChI

InChI=1S/C22H36O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-25(24)22(21)23/h6-7,9-10,19H,2-5,8,11-18,20H2,1H3/b7-6+,10-9+