[2-chloranyl-4-(4-octylphenyl)phenyl] 2-methylbutanoate

Systemtic Name: [2-chloranyl-4-(4-octylphenyl)phenyl] 2-methylbutanoate Openeye Name: [2-chloro-4-(4-octylphenyl)phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2-chloro-4-(4-octylphenyl)phenyl] ester IUPAC Name: [2-chloro-4-(4-octylphenyl)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-chloro-4-(4-octylphenyl)phenyl] ester Formula: C25H33ClO2 MolecularWeight: 400.98132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C(C)CC)Cl

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C(C)CC)Cl

InChI

InChI=1S/C25H33ClO2/c1-4-6-7-8-9-10-11-20-12-14-21(15-13-20)22-16-17-24(23(26)18-22)28-25(27)19(3)5-2/h12-19H,4-11H2,1-3H3