[4-(2-methylheptan-2-yl)phenyl] 2-oxidanylbenzoate

Systemtic Name: [4-(2-methylheptan-2-yl)phenyl] 2-oxidanylbenzoate Openeye Name: [4-(1,1-dimethylhexyl)phenyl] 2-hydroxybenzoate CAS Name: 2-hydroxybenzoic acid [4-(2-methylheptan-2-yl)phenyl] ester IUPAC Name: [4-(2-methylheptan-2-yl)phenyl] 2-hydroxybenzoate Traditional Name: 2-hydroxybenzoic acid [4-(1,1-dimethylhexyl)phenyl] ester Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O

Isomeric SMILES

CCCCCC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O

InChI

InChI=1S/C21H26O3/c1-4-5-8-15-21(2,3)16-11-13-17(14-12-16)24-20(23)18-9-6-7-10-19(18)22/h6-7,9-14,22H,4-5,8,15H2,1-3H3