[4-(4-octylphenyl)phenyl] 3-chloranyl-4-octan-2-yloxy-benzoate

Systemtic Name: [4-(4-octylphenyl)phenyl] 3-chloranyl-4-octan-2-yloxy-benzoate Openeye Name: [4-(4-octylphenyl)phenyl] 3-chloro-4-(1-methylheptoxy)benzoate CAS Name: 3-chloro-4-octan-2-yloxybenzoic acid [4-(4-octylphenyl)phenyl] ester IUPAC Name: [4-(4-octylphenyl)phenyl] 3-chloro-4-octan-2-yloxybenzoate Traditional Name: 3-chloro-4-(1-methylheptoxy)benzoic acid [4-(4-octylphenyl)phenyl] ester Formula: C35H45ClO3 MolecularWeight: 549.183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC(C)CCCCCC)Cl

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC(C)CCCCCC)Cl

InChI

InChI=1S/C35H45ClO3/c1-4-6-8-10-11-13-15-28-16-18-29(19-17-28)30-20-23-32(24-21-30)39-35(37)31-22-25-34(33(36)26-31)38-27(3)14-12-9-7-5-2/h16-27H,4-15H2,1-3H3