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

Systemtic Name: [4-(4-heptoxyphenyl)phenyl] 3-chloranyl-4-(4-heptylphenyl)benzoate Openeye Name: [4-(4-heptoxyphenyl)phenyl] 3-chloro-4-(4-heptylphenyl)benzoate CAS Name: 3-chloro-4-(4-heptylphenyl)benzoic acid [4-(4-heptoxyphenyl)phenyl] ester IUPAC Name: [4-(4-heptoxyphenyl)phenyl] 3-chloro-4-(4-heptylphenyl)benzoate Traditional Name: 3-chloro-4-(4-heptylphenyl)benzoic acid [4-(4-heptoxyphenyl)phenyl] ester Formula: C39H45ClO3 MolecularWeight: 597.2258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=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

CCCCCCCC1=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/C39H45ClO3/c1-3-5-7-9-11-13-30-14-16-33(17-15-30)37-27-22-34(29-38(37)40)39(41)43-36-25-20-32(21-26-36)31-18-23-35(24-19-31)42-28-12-10-8-6-4-2/h14-27,29H,3-13,28H2,1-2H3