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

Systemtic Name: [4-(4-heptoxyphenyl)phenyl] 3-chloranyl-4-octyl-benzoate Openeye Name: [4-(4-heptoxyphenyl)phenyl] 3-chloro-4-octyl-benzoate CAS Name: 3-chloro-4-octylbenzoic acid [4-(4-heptoxyphenyl)phenyl] ester IUPAC Name: [4-(4-heptoxyphenyl)phenyl] 3-chloro-4-octylbenzoate Traditional Name: 3-chloro-4-octyl-benzoic acid [4-(4-heptoxyphenyl)phenyl] ester Formula: C34H43ClO3 MolecularWeight: 535.15642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCC)Cl

Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCC)Cl

InChI

InChI=1S/C34H43ClO3/c1-3-5-7-9-10-12-14-29-15-16-30(26-33(29)35)34(36)38-32-23-19-28(20-24-32)27-17-21-31(22-18-27)37-25-13-11-8-6-4-2/h15-24,26H,3-14,25H2,1-2H3