3-tert-butyl-5-[(2E,4E,6E)-6-methyl-9-oxidanyl-9-oxidanylidene-nona-2,4,6-trien-2-yl]benzoic acid

Systemtic Name: 3-tert-butyl-5-[(2E,4E,6E)-6-methyl-9-oxidanyl-9-oxidanylidene-nona-2,4,6-trien-2-yl]benzoic acid Openeye Name: 3-tert-butyl-5-[(1E,3E,5E)-8-hydroxy-1,5-dimethyl-8-oxo-octa-1,3,5-trienyl]benzoic acid CAS Name: 3-tert-butyl-5-[(2E,4E,6E)-9-hydroxy-6-methyl-9-oxonona-2,4,6-trien-2-yl]benzoic acid IUPAC Name: 3-tert-butyl-5-[(2E,4E,6E)-9-hydroxy-6-methyl-9-oxonona-2,4,6-trien-2-yl]benzoic acid Traditional Name: 3-tert-butyl-5-[(1E,3E,5E)-8-hydroxy-8-keto-1,5-dimethyl-octa-1,3,5-trienyl]benzoic acid Formula: C21H26O4 MolecularWeight: 342.42874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(=O)O)C=CC=C(C)C1=CC(=CC(=C1)C(C)(C)C)C(=O)O

Isomeric SMILES

C/C(=C\CC(=O)O)/C=C/C=C(\C)/C1=CC(=CC(=C1)C(C)(C)C)C(=O)O

InChI

InChI=1S/C21H26O4/c1-14(9-10-19(22)23)7-6-8-15(2)16-11-17(20(24)25)13-18(12-16)21(3,4)5/h6-9,11-13H,10H2,1-5H3,(H,22,23)(H,24,25)/b7-6+,14-9+,15-8+