methyl 2-octadecoxy-3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: methyl 2-octadecoxy-3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1-carboxylate Openeye Name: methyl 2-octadecoxy-3,6-dioxo-cyclohexa-1,4-diene-1-carboxylate CAS Name: 2-octadecoxy-3,6-dioxo-1-cyclohexa-1,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 2-octadecoxy-3,6-dioxocyclohexa-1,4-diene-1-carboxylate Traditional Name: 3,6-diketo-2-stearyloxy-cyclohexa-1,4-diene-1-carboxylic acid methyl ester Formula: C26H42O5 MolecularWeight: 434.60868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(C(=O)C=CC1=O)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(C(=O)C=CC1=O)C(=O)OC

InChI

InChI=1S/C26H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-31-25-23(28)20-19-22(27)24(25)26(29)30-2/h19-20H,3-18,21H2,1-2H3