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

Systemtic Name: [4-(4-heptoxyphenyl)phenyl] 3-chloranyl-4-pentyl-benzoate Openeye Name: [4-(4-heptoxyphenyl)phenyl] 3-chloro-4-pentyl-benzoate CAS Name: 3-chloro-4-pentylbenzoic acid [4-(4-heptoxyphenyl)phenyl] ester IUPAC Name: [4-(4-heptoxyphenyl)phenyl] 3-chloro-4-pentylbenzoate Traditional Name: 4-amyl-3-chloro-benzoic acid [4-(4-heptoxyphenyl)phenyl] ester Formula: C31H37ClO3 MolecularWeight: 493.07668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCC)Cl

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCC)Cl

InChI

InChI=1S/C31H37ClO3/c1-3-5-7-8-10-22-34-28-18-14-24(15-19-28)25-16-20-29(21-17-25)35-31(33)27-13-12-26(30(32)23-27)11-9-6-4-2/h12-21,23H,3-11,22H2,1-2H3