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

Systemtic Name: [4-(4-heptoxyphenyl)phenyl] 3-chloranyl-4-octoxy-benzoate Openeye Name: [4-(4-heptoxyphenyl)phenyl] 3-chloro-4-octoxy-benzoate CAS Name: 3-chloro-4-octoxybenzoic acid [4-(4-heptoxyphenyl)phenyl] ester IUPAC Name: [4-(4-heptoxyphenyl)phenyl] 3-chloro-4-octoxybenzoate Traditional Name: 3-chloro-4-octoxy-benzoic acid [4-(4-heptoxyphenyl)phenyl] ester Formula: C34H43ClO4 MolecularWeight: 551.15582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCC)Cl

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCC)Cl

InChI

InChI=1S/C34H43ClO4/c1-3-5-7-9-11-13-25-38-33-23-18-29(26-32(33)35)34(36)39-31-21-16-28(17-22-31)27-14-19-30(20-15-27)37-24-12-10-8-6-4-2/h14-23,26H,3-13,24-25H2,1-2H3