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

Systemtic Name: [4-(4-heptoxyphenyl)phenyl] 3-chloranyl-4-heptyl-benzoate Openeye Name: [4-(4-heptoxyphenyl)phenyl] 3-chloro-4-heptyl-benzoate CAS Name: 3-chloro-4-heptylbenzoic acid [4-(4-heptoxyphenyl)phenyl] ester IUPAC Name: [4-(4-heptoxyphenyl)phenyl] 3-chloro-4-heptylbenzoate Traditional Name: 3-chloro-4-heptyl-benzoic acid [4-(4-heptoxyphenyl)phenyl] ester Formula: C33H41ClO3 MolecularWeight: 521.12984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCC)Cl

Isomeric SMILES

CCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCC)Cl

InChI

InChI=1S/C33H41ClO3/c1-3-5-7-9-11-13-28-14-15-29(25-32(28)34)33(35)37-31-22-18-27(19-23-31)26-16-20-30(21-17-26)36-24-12-10-8-6-4-2/h14-23,25H,3-13,24H2,1-2H3