[3,5,5-trimethyl-4-[(1E)-3-methyl-3-oxidanyl-penta-1,4-dienyl]-2-oxidanylidene-cyclohex-3-en-1-yl] 2-phenoxyethanoate

Systemtic Name: [3,5,5-trimethyl-4-[(1E)-3-methyl-3-oxidanyl-penta-1,4-dienyl]-2-oxidanylidene-cyclohex-3-en-1-yl] 2-phenoxyethanoate Openeye Name: [4-[(1E)-3-hydroxy-3-methyl-penta-1,4-dienyl]-3,5,5-trimethyl-2-oxo-cyclohex-3-en-1-yl] 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid [4-[(1E)-3-hydroxy-3-methylpenta-1,4-dienyl]-3,5,5-trimethyl-2-oxo-1-cyclohex-3-enyl] ester IUPAC Name: [4-[(1E)-3-hydroxy-3-methylpenta-1,4-dienyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl] 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [4-[(1E)-3-hydroxy-3-methyl-penta-1,4-dienyl]-2-keto-3,5,5-trimethyl-cyclohex-3-en-1-yl] ester Formula: C23H28O5 MolecularWeight: 384.46542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(C1=O)OC(=O)COC2=CC=CC=C2)(C)C)C=CC(C)(C=C)O

Isomeric SMILES

CC1=C(C(CC(C1=O)OC(=O)COC2=CC=CC=C2)(C)C)/C=C/C(C)(C=C)O

InChI

InChI=1S/C23H28O5/c1-6-23(5,26)13-12-18-16(2)21(25)19(14-22(18,3)4)28-20(24)15-27-17-10-8-7-9-11-17/h6-13,19,26H,1,14-15H2,2-5H3/b13-12+