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

Systemtic Name: [2-chloranyl-4-(4-nonylphenyl)phenyl] 2-methylbutanoate Openeye Name: [2-chloro-4-(4-nonylphenyl)phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2-chloro-4-(4-nonylphenyl)phenyl] ester IUPAC Name: [2-chloro-4-(4-nonylphenyl)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-chloro-4-(4-nonylphenyl)phenyl] ester Formula: C26H35ClO2 MolecularWeight: 415.0079

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C(C)CC)Cl

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C(C)CC)Cl

InChI

InChI=1S/C26H35ClO2/c1-4-6-7-8-9-10-11-12-21-13-15-22(16-14-21)23-17-18-25(24(27)19-23)29-26(28)20(3)5-2/h13-20H,4-12H2,1-3H3