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

Systemtic Name: [3-(2-methylpentan-2-yl)-4-oxidanyl-phenyl] (E)-2,4,4-trimethylhept-2-enoate Openeye Name: [3-(1,1-dimethylbutyl)-4-hydroxy-phenyl] (E)-2,4,4-trimethylhept-2-enoate CAS Name: (E)-2,4,4-trimethyl-2-heptenoic acid [4-hydroxy-3-(2-methylpentan-2-yl)phenyl] ester IUPAC Name: [4-hydroxy-3-(2-methylpentan-2-yl)phenyl] (E)-2,4,4-trimethylhept-2-enoate Traditional Name: (E)-2,4,4-trimethylhept-2-enoic acid [3-(1,1-dimethylbutyl)-4-hydroxy-phenyl] ester Formula: C22H34O3 MolecularWeight: 346.50356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34O3/c1-8-12-21(4,5)15-16(3)20(24)25-17-10-11-19(23)18(14-17)22(6,7)13-9-2/h10-11,14-15,23H,8-9,12-13H2,1-7H3/b16-15+