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

Systemtic Name: 3-phenyl-3-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]azonane-2-carboxylic acid Openeye Name: 3-phenyl-3-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)azonane-2-carboxylic acid CAS Name: 3-phenyl-3-(2,4,5-trimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)-2-azonanecarboxylic acid IUPAC Name: 3-phenyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)azonane-2-carboxylic acid Traditional Name: 3-(3,6-diketo-2,4,5-trimethyl-cyclohexa-1,4-dien-1-yl)-3-phenyl-azonane-2-carboxylic acid Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)C)C2(CCCCCCNC2C(=O)O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)C)C2(CCCCCCNC2C(=O)O)C3=CC=CC=C3)C

InChI

InChI=1S/C24H29NO4/c1-15-16(2)21(27)19(17(3)20(15)26)24(18-11-7-6-8-12-18)13-9-4-5-10-14-25-22(24)23(28)29/h6-8,11-12,22,25H,4-5,9-10,13-14H2,1-3H3,(H,28,29)