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

Systemtic Name: 7-phenyl-7-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]hept-2-ynoic acid Openeye Name: 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)hept-2-ynoic acid CAS Name: 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)-2-heptynoic acid IUPAC Name: 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)hept-2-ynoic acid Traditional Name: 7-(3,6-diketo-2,4,5-trimethyl-cyclohexa-1,4-dien-1-yl)-7-phenyl-hept-2-ynoic acid Formula: C22H22O4 MolecularWeight: 350.40768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)C)C(CCCC#CC(=O)O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)C)C(CCCC#CC(=O)O)C2=CC=CC=C2)C

InChI

InChI=1S/C22H22O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-11,18H,5,8,12H2,1-3H3,(H,23,24)