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

Systemtic Name: [4-(4-heptoxyphenyl)phenyl] 3-chloranyl-4-nonyl-benzoate Openeye Name: [4-(4-heptoxyphenyl)phenyl] 3-chloro-4-nonyl-benzoate CAS Name: 3-chloro-4-nonylbenzoic acid [4-(4-heptoxyphenyl)phenyl] ester IUPAC Name: [4-(4-heptoxyphenyl)phenyl] 3-chloro-4-nonylbenzoate Traditional Name: 3-chloro-4-nonyl-benzoic acid [4-(4-heptoxyphenyl)phenyl] ester Formula: C35H45ClO3 MolecularWeight: 549.183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCC)Cl

Isomeric SMILES

CCCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCC)Cl

InChI

InChI=1S/C35H45ClO3/c1-3-5-7-9-10-11-13-15-30-16-17-31(27-34(30)36)35(37)39-33-24-20-29(21-25-33)28-18-22-32(23-19-28)38-26-14-12-8-6-4-2/h16-25,27H,3-15,26H2,1-2H3