7-phenyl-2-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]heptanoic acid

Systemtic Name: 7-phenyl-2-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]heptanoic acid Openeye Name: 7-phenyl-2-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)heptanoic acid CAS Name: 7-phenyl-2-(2,4,5-trimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)heptanoic acid IUPAC Name: 7-phenyl-2-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid Traditional Name: 2-(3,6-diketo-2,4,5-trimethyl-cyclohexa-1,4-dien-1-yl)-7-phenyl-enanthic acid Formula: C22H26O4 MolecularWeight: 354.43944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC2=CC=CC=C2)C(=O)O)C

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC2=CC=CC=C2)C(=O)O)C

InChI

InChI=1S/C22H26O4/c1-14-15(2)21(24)19(16(3)20(14)23)18(22(25)26)13-9-5-8-12-17-10-6-4-7-11-17/h4,6-7,10-11,18H,5,8-9,12-13H2,1-3H3,(H,25,26)