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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C(=C(C1=O)CCCCCCCCCCCCCCC=CC(=O)O)O

Isomeric SMILES

COC1=CC(=O)C(=C(C1=O)CCCCCCCCCCCCCC/C=C/C(=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/h15,17-18,28H,2-14,16H2,1H3,(H,26,27)/b17-15+