4-[3-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)prop-1-ynyl]benzoic acid

Systemtic Name: 4-[3-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)prop-1-ynyl]benzoic acid Openeye Name: 4-[3-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)prop-1-ynyl]benzoic acid CAS Name: 4-[3-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)prop-1-ynyl]benzoic acid IUPAC Name: 4-[3-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)prop-1-ynyl]benzoic acid Traditional Name: 4-[3-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)prop-1-ynyl]benzoic acid Formula: C24H26O3 MolecularWeight: 362.46144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC#CC2=CC=C(C=C2)C(=O)O)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC#CC2=CC=C(C=C2)C(=O)O)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C24H26O3/c1-23(2,3)19-14-17(15-20(21(19)25)24(4,5)6)9-7-8-16-10-12-18(13-11-16)22(26)27/h9-15H,1-6H3,(H,26,27)