methyl 4-[(E)-1-oxidanyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enyl]benzoate

Systemtic Name: methyl 4-[(E)-1-oxidanyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enyl]benzoate Openeye Name: methyl 4-[(E)-1-hydroxy-3-(2,6,6-trimethylcyclohexen-1-yl)allyl]benzoate CAS Name: 4-[(E)-1-hydroxy-3-(2,6,6-trimethyl-1-cyclohexenyl)prop-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-1-hydroxy-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enyl]benzoate Traditional Name: 4-[(E)-1-hydroxy-3-(2,6,6-trimethylcyclohexen-1-yl)allyl]benzoic acid methyl ester Formula: C20H26O3 MolecularWeight: 314.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC(C2=CC=C(C=C2)C(=O)OC)O

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(C2=CC=C(C=C2)C(=O)OC)O

InChI

InChI=1S/C20H26O3/c1-14-6-5-13-20(2,3)17(14)11-12-18(21)15-7-9-16(10-8-15)19(22)23-4/h7-12,18,21H,5-6,13H2,1-4H3/b12-11+