[3-[2,4-dimethyl-3,6-bis(oxidanyl)phenyl]-3-methyl-butyl] 2-phenylethanoate

Systemtic Name: [3-[2,4-dimethyl-3,6-bis(oxidanyl)phenyl]-3-methyl-butyl] 2-phenylethanoate Openeye Name: [3-(3,6-dihydroxy-2,4-dimethyl-phenyl)-3-methyl-butyl] 2-phenylacetate CAS Name: 2-phenylacetic acid [3-(3,6-dihydroxy-2,4-dimethylphenyl)-3-methylbutyl] ester IUPAC Name: [3-(3,6-dihydroxy-2,4-dimethylphenyl)-3-methylbutyl] 2-phenylacetate Traditional Name: 2-phenylacetic acid [3-(3,6-dihydroxy-2,4-dimethyl-phenyl)-3-methyl-butyl] ester Formula: C21H26O4 MolecularWeight: 342.42874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1O)C)C(C)(C)CCOC(=O)CC2=CC=CC=C2)O

Isomeric SMILES

CC1=CC(=C(C(=C1O)C)C(C)(C)CCOC(=O)CC2=CC=CC=C2)O

InChI

InChI=1S/C21H26O4/c1-14-12-17(22)19(15(2)20(14)24)21(3,4)10-11-25-18(23)13-16-8-6-5-7-9-16/h5-9,12,22,24H,10-11,13H2,1-4H3