[3-(2-methylpentan-2-yl)-4-oxidanyl-phenyl] (E)-4,4-dimethylhept-2-enoate

Systemtic Name: [3-(2-methylpentan-2-yl)-4-oxidanyl-phenyl] (E)-4,4-dimethylhept-2-enoate Openeye Name: [3-(1,1-dimethylbutyl)-4-hydroxy-phenyl] (E)-4,4-dimethylhept-2-enoate CAS Name: (E)-4,4-dimethyl-2-heptenoic acid [4-hydroxy-3-(2-methylpentan-2-yl)phenyl] ester IUPAC Name: [4-hydroxy-3-(2-methylpentan-2-yl)phenyl] (E)-4,4-dimethylhept-2-enoate Traditional Name: (E)-4,4-dimethylhept-2-enoic acid [3-(1,1-dimethylbutyl)-4-hydroxy-phenyl] ester Formula: C21H32O3 MolecularWeight: 332.47698

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)C=CC(=O)OC1=CC(=C(C=C1)O)C(C)(C)CCC

Isomeric SMILES

CCCC(C)(C)/C=C/C(=O)OC1=CC(=C(C=C1)O)C(C)(C)CCC

InChI

InChI=1S/C21H32O3/c1-7-12-20(3,4)14-11-19(23)24-16-9-10-18(22)17(15-16)21(5,6)13-8-2/h9-11,14-15,22H,7-8,12-13H2,1-6H3/b14-11+