[4-(4-heptoxyphenyl)phenyl] 3-chloranyl-4-(4-nonylphenyl)benzoate

Systemtic Name: [4-(4-heptoxyphenyl)phenyl] 3-chloranyl-4-(4-nonylphenyl)benzoate Openeye Name: [4-(4-heptoxyphenyl)phenyl] 3-chloro-4-(4-nonylphenyl)benzoate CAS Name: 3-chloro-4-(4-nonylphenyl)benzoic acid [4-(4-heptoxyphenyl)phenyl] ester IUPAC Name: [4-(4-heptoxyphenyl)phenyl] 3-chloro-4-(4-nonylphenyl)benzoate Traditional Name: 3-chloro-4-(4-nonylphenyl)benzoic acid [4-(4-heptoxyphenyl)phenyl] ester Formula: C41H49ClO3 MolecularWeight: 625.27896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)OCCCCCCC)Cl

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)OCCCCCCC)Cl

InChI

InChI=1S/C41H49ClO3/c1-3-5-7-9-10-11-13-15-32-16-18-35(19-17-32)39-29-24-36(31-40(39)42)41(43)45-38-27-22-34(23-28-38)33-20-25-37(26-21-33)44-30-14-12-8-6-4-2/h16-29,31H,3-15,30H2,1-2H3