(E)-15-[5-methoxy-2-oxidanyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]pentadec-2-enoic acid

Systemtic Name: (E)-15-[5-methoxy-2-oxidanyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]pentadec-2-enoic acid Openeye Name: (E)-15-(2-hydroxy-5-methoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)pentadec-2-enoic acid CAS Name: (E)-15-(2-hydroxy-5-methoxy-3,6-dioxo-1-cyclohexa-1,4-dienyl)-2-pentadecenoic acid IUPAC Name: (E)-15-(2-hydroxy-5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)pentadec-2-enoic acid Traditional Name: (E)-15-(2-hydroxy-3,6-diketo-5-methoxy-cyclohexa-1,4-dien-1-yl)pentadec-2-enoic acid Formula: C22H32O6 MolecularWeight: 392.48588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC(=O)C(=C(C1=O)CCCCCCCCCCCC/C=C/C(=O)O)O

InChI

InChI=1S/C22H32O6/c1-28-19-16-18(23)21(26)17(22(19)27)14-12-10-8-6-4-2-3-5-7-9-11-13-15-20(24)25/h13,15-16,26H,2-12,14H2,1H3,(H,24,25)/b15-13+