(Z)-17-[5-methoxy-2-oxidanyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]heptadec-9-enoic acid

Systemtic Name: (Z)-17-[5-methoxy-2-oxidanyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]heptadec-9-enoic acid Openeye Name: (Z)-17-(2-hydroxy-5-methoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)heptadec-9-enoic acid CAS Name: (Z)-17-(2-hydroxy-5-methoxy-3,6-dioxo-1-cyclohexa-1,4-dienyl)-9-heptadecenoic acid IUPAC Name: (Z)-17-(2-hydroxy-5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)heptadec-9-enoic acid Traditional Name: (Z)-17-(2-hydroxy-3,6-diketo-5-methoxy-cyclohexa-1,4-dien-1-yl)heptadec-9-enoic acid Formula: C24H36O6 MolecularWeight: 420.53904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C(=C(C1=O)CCCCCCCC=CCCCCCCCC(=O)O)O

Isomeric SMILES

COC1=CC(=O)C(=C(C1=O)CCCCCCC/C=C\CCCCCCCC(=O)O)O

InChI

InChI=1S/C24H36O6/c1-30-21-18-20(25)23(28)19(24(21)29)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-22(26)27/h2-3,18,28H,4-17H2,1H3,(H,26,27)/b3-2-