9-phenyl-9-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]nonanoic acid

Systemtic Name: 9-phenyl-9-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]nonanoic acid Openeye Name: 9-phenyl-9-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)nonanoic acid CAS Name: 9-phenyl-9-(2,4,5-trimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)nonanoic acid IUPAC Name: 9-phenyl-9-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)nonanoic acid Traditional Name: 9-(3,6-diketo-2,4,5-trimethyl-cyclohexa-1,4-dien-1-yl)-9-phenyl-pelargonic acid Formula: C24H30O4 MolecularWeight: 382.4926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30O4/c1-16-17(2)24(28)22(18(3)23(16)27)20(19-12-8-7-9-13-19)14-10-5-4-6-11-15-21(25)26/h7-9,12-13,20H,4-6,10-11,14-15H2,1-3H3,(H,25,26)