octadecyl 3,4-bis(oxidanyl)-5-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: octadecyl 3,4-bis(oxidanyl)-5-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: octadecyl 3,4-dihydroxy-5-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 3,4-dihydroxy-5-oxo-1-cyclohex-3-enecarboxylic acid octadecyl ester IUPAC Name: octadecyl 3,4-dihydroxy-5-oxocyclohex-3-ene-1-carboxylate Traditional Name: 3,4-dihydroxy-5-keto-cyclohex-3-ene-1-carboxylic acid stearyl ester Formula: C25H44O5 MolecularWeight: 424.61386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1CC(=C(C(=O)C1)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1CC(=C(C(=O)C1)O)O

InChI

InChI=1S/C25H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-25(29)21-19-22(26)24(28)23(27)20-21/h21,26,28H,2-20H2,1H3