[4-(2-cyanodecan-2-yl)phenyl] 4-(4-octoxyphenyl)benzoate

Systemtic Name: [4-(2-cyanodecan-2-yl)phenyl] 4-(4-octoxyphenyl)benzoate Openeye Name: [4-(1-cyano-1-methyl-nonyl)phenyl] 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid [4-(2-cyanodecan-2-yl)phenyl] ester IUPAC Name: [4-(2-cyanodecan-2-yl)phenyl] 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid [4-(1-cyano-1-methyl-nonyl)phenyl] ester Formula: C38H49NO3 MolecularWeight: 567.80056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)(C#N)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCCC

Isomeric SMILES

CCCCCCCCC(C)(C#N)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCCC

InChI

InChI=1S/C38H49NO3/c1-4-6-8-10-12-14-28-38(3,30-39)34-22-26-36(27-23-34)42-37(40)33-18-16-31(17-19-33)32-20-24-35(25-21-32)41-29-15-13-11-9-7-5-2/h16-27H,4-15,28-29H2,1-3H3