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

Systemtic Name: [4-(2-methylheptan-2-yl)phenyl] 4-chloranylbenzoate Openeye Name: [4-(1,1-dimethylhexyl)phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-(2-methylheptan-2-yl)phenyl] ester IUPAC Name: [4-(2-methylheptan-2-yl)phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-(1,1-dimethylhexyl)phenyl] ester Formula: C21H25ClO2 MolecularWeight: 344.875

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClO2/c1-4-5-6-15-21(2,3)17-9-13-19(14-10-17)24-20(23)16-7-11-18(22)12-8-16/h7-14H,4-6,15H2,1-3H3