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

Systemtic Name: [4-(4-heptoxyphenyl)phenyl] 3-chloranyl-4-hexoxy-benzoate Openeye Name: [4-(4-heptoxyphenyl)phenyl] 3-chloro-4-hexoxy-benzoate CAS Name: 3-chloro-4-hexoxybenzoic acid [4-(4-heptoxyphenyl)phenyl] ester IUPAC Name: [4-(4-heptoxyphenyl)phenyl] 3-chloro-4-hexoxybenzoate Traditional Name: 3-chloro-4-hexoxy-benzoic acid [4-(4-heptoxyphenyl)phenyl] ester Formula: C32H39ClO4 MolecularWeight: 523.10266

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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)OCCCCCC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C32H39ClO4/c1-3-5-7-9-11-22-35-28-17-12-25(13-18-28)26-14-19-29(20-15-26)37-32(34)27-16-21-31(30(33)24-27)36-23-10-8-6-4-2/h12-21,24H,3-11,22-23H2,1-2H3