methyl 3-butan-2-yl-5-(2,6-dimethylheptan-2-yl)-2-oxidanyl-benzoate

Systemtic Name: methyl 3-butan-2-yl-5-(2,6-dimethylheptan-2-yl)-2-oxidanyl-benzoate Openeye Name: methyl 2-hydroxy-3-sec-butyl-5-(1,1,5-trimethylhexyl)benzoate CAS Name: 3-butan-2-yl-5-(2,6-dimethylheptan-2-yl)-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 3-butan-2-yl-5-(2,6-dimethylheptan-2-yl)-2-hydroxybenzoate Traditional Name: 2-hydroxy-3-sec-butyl-5-(1,1,5-trimethylhexyl)benzoic acid methyl ester Formula: C21H34O3 MolecularWeight: 334.49286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34O3/c1-8-15(4)17-12-16(13-18(19(17)22)20(23)24-7)21(5,6)11-9-10-14(2)3/h12-15,22H,8-11H2,1-7H3