[4-(4-nonoxyphenyl)phenyl] 3-chloranyl-4-(4-pentylphenyl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)C4=CC=C(C=C4)CCCCC)Cl

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)C4=CC=C(C=C4)CCCCC)Cl

InChI

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