3-tert-butyl-5-[(2E,4E,6E)-6-methyl-8-oxidanylidene-nona-2,4,6-trien-2-yl]benzoic acid

Systemtic Name: 3-tert-butyl-5-[(2E,4E,6E)-6-methyl-8-oxidanylidene-nona-2,4,6-trien-2-yl]benzoic acid Openeye Name: 3-tert-butyl-5-[(1E,3E,5E)-1,5-dimethyl-7-oxo-octa-1,3,5-trienyl]benzoic acid CAS Name: 3-tert-butyl-5-[(2E,4E,6E)-6-methyl-8-oxonona-2,4,6-trien-2-yl]benzoic acid IUPAC Name: 3-tert-butyl-5-[(2E,4E,6E)-6-methyl-8-oxonona-2,4,6-trien-2-yl]benzoic acid Traditional Name: 3-tert-butyl-5-[(1E,3E,5E)-7-keto-1,5-dimethyl-octa-1,3,5-trienyl]benzoic acid Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O3/c1-14(10-16(3)22)8-7-9-15(2)17-11-18(20(23)24)13-19(12-17)21(4,5)6/h7-13H,1-6H3,(H,23,24)/b8-7+,14-10+,15-9+