[4-(4-octylphenyl)phenyl] 3-chloranyl-4-(4-hexylphenyl)benzoate

Systemtic Name: [4-(4-octylphenyl)phenyl] 3-chloranyl-4-(4-hexylphenyl)benzoate Openeye Name: [4-(4-octylphenyl)phenyl] 3-chloro-4-(4-hexylphenyl)benzoate CAS Name: 3-chloro-4-(4-hexylphenyl)benzoic acid [4-(4-octylphenyl)phenyl] ester IUPAC Name: [4-(4-octylphenyl)phenyl] 3-chloro-4-(4-hexylphenyl)benzoate Traditional Name: 3-chloro-4-(4-hexylphenyl)benzoic acid [4-(4-octylphenyl)phenyl] ester Formula: C39H45ClO2 MolecularWeight: 581.2264

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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)C4=CC=C(C=C4)CCCCCC)Cl

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)C4=CC=C(C=C4)CCCCCC)Cl

InChI

InChI=1S/C39H45ClO2/c1-3-5-7-9-10-12-14-30-15-19-32(20-16-30)33-23-26-36(27-24-33)42-39(41)35-25-28-37(38(40)29-35)34-21-17-31(18-22-34)13-11-8-6-4-2/h15-29H,3-14H2,1-2H3