[2-[1-(3,5-dimethyl-2-oxidanyl-phenyl)butyl]-4,6-dimethyl-phenyl] benzoate

Systemtic Name: [2-[1-(3,5-dimethyl-2-oxidanyl-phenyl)butyl]-4,6-dimethyl-phenyl] benzoate Openeye Name: [2-[1-(2-hydroxy-3,5-dimethyl-phenyl)butyl]-4,6-dimethyl-phenyl] benzoate CAS Name: benzoic acid [2-[1-(2-hydroxy-3,5-dimethylphenyl)butyl]-4,6-dimethylphenyl] ester IUPAC Name: [2-[1-(2-hydroxy-3,5-dimethylphenyl)butyl]-4,6-dimethylphenyl] benzoate Traditional Name: benzoic acid [2-[1-(2-hydroxy-3,5-dimethyl-phenyl)butyl]-4,6-dimethyl-phenyl] ester Formula: C27H30O3 MolecularWeight: 402.5253

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC(=CC(=C1O)C)C)C2=CC(=CC(=C2OC(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCCC(C1=CC(=CC(=C1O)C)C)C2=CC(=CC(=C2OC(=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C27H30O3/c1-6-10-22(23-15-17(2)13-19(4)25(23)28)24-16-18(3)14-20(5)26(24)30-27(29)21-11-8-7-9-12-21/h7-9,11-16,22,28H,6,10H2,1-5H3