2,3-dimethoxy-5-[(E)-octadec-9-enyl]sulfanyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,3-dimethoxy-5-[(E)-octadec-9-enyl]sulfanyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,3-dimethoxy-5-[(E)-octadec-9-enyl]sulfanyl-1,4-benzoquinone CAS Name: 2,3-dimethoxy-5-[[(E)-octadec-9-enyl]thio]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,3-dimethoxy-5-[(E)-octadec-9-enyl]sulfanylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2,3-dimethoxy-5-[[(E)-octadec-9-enyl]thio]-p-benzoquinone Formula: C26H42O4S MolecularWeight: 450.67428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCSC1=CC(=O)C(=C(C1=O)OC)OC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCSC1=CC(=O)C(=C(C1=O)OC)OC

InChI

InChI=1S/C26H42O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-23-21-22(27)25(29-2)26(30-3)24(23)28/h11-12,21H,4-10,13-20H2,1-3H3/b12-11+