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

Systemtic Name: [4-(4-heptoxyphenyl)phenyl] 3-chloranyl-4-(4-octylphenyl)benzoate Openeye Name: [4-(4-heptoxyphenyl)phenyl] 3-chloro-4-(4-octylphenyl)benzoate CAS Name: 3-chloro-4-(4-octylphenyl)benzoic acid [4-(4-heptoxyphenyl)phenyl] ester IUPAC Name: [4-(4-heptoxyphenyl)phenyl] 3-chloro-4-(4-octylphenyl)benzoate Traditional Name: 3-chloro-4-(4-octylphenyl)benzoic acid [4-(4-heptoxyphenyl)phenyl] ester Formula: C40H47ClO3 MolecularWeight: 611.25238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=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

CCCCCCCCC1=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/C40H47ClO3/c1-3-5-7-9-10-12-14-31-15-17-34(18-16-31)38-28-23-35(30-39(38)41)40(42)44-37-26-21-33(22-27-37)32-19-24-36(25-20-32)43-29-13-11-8-6-4-2/h15-28,30H,3-14,29H2,1-2H3