4-[(9E,12E)-octadeca-9,12-dienoyl]-5-oxidanyl-thiophen-3-one

Systemtic Name: 4-[(9E,12E)-octadeca-9,12-dienoyl]-5-oxidanyl-thiophen-3-one Openeye Name: 5-hydroxy-4-[(9E,12E)-octadeca-9,12-dienoyl]thiophen-3-one CAS Name: 5-hydroxy-4-[(9E,12E)-1-oxooctadeca-9,12-dienyl]-3-thiophenone IUPAC Name: 5-hydroxy-4-[(9E,12E)-octadeca-9,12-dienoyl]thiophen-3-one Traditional Name: 5-hydroxy-4-[(9E,12E)-octadeca-9,12-dienoyl]thiophen-3-one Formula: C22H34O3S MolecularWeight: 378.56856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)C1=C(SCC1=O)O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)C1=C(SCC1=O)O

InChI

InChI=1S/C22H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(23)21-20(24)18-26-22(21)25/h6-7,9-10,25H,2-5,8,11-18H2,1H3/b7-6+,10-9+