[4-(2,3-dicyano-4-heptoxy-phenoxy)carbonylphenyl] 4-heptylbenzoate

Systemtic Name: [4-(2,3-dicyano-4-heptoxy-phenoxy)carbonylphenyl] 4-heptylbenzoate Openeye Name: [4-(2,3-dicyano-4-heptoxy-phenoxy)carbonylphenyl] 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid [4-[(2,3-dicyano-4-heptoxyphenoxy)-oxomethyl]phenyl] ester IUPAC Name: [4-(2,3-dicyano-4-heptoxyphenoxy)carbonylphenyl] 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [4-(2,3-dicyano-4-heptoxy-phenoxy)carbonylphenyl] ester Formula: C36H40N2O5 MolecularWeight: 580.7132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)OCCCCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)OCCCCCCC)C#N)C#N

InChI

InChI=1S/C36H40N2O5/c1-3-5-7-9-11-13-27-14-16-28(17-15-27)35(39)42-30-20-18-29(19-21-30)36(40)43-34-23-22-33(31(25-37)32(34)26-38)41-24-12-10-8-6-4-2/h14-23H,3-13,24H2,1-2H3