[4-[4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl]phenyl] 3-cyano-4-decyl-benzoate

Systemtic Name: [4-[4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl]phenyl] 3-cyano-4-decyl-benzoate Openeye Name: [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] 3-cyano-4-decyl-benzoate CAS Name: 3-cyano-4-decylbenzoic acid [4-[4-(2-chloro-3-methyl-1-oxobutoxy)phenyl]phenyl] ester IUPAC Name: [4-[4-(2-chloro-3-methylbutanoyl)oxyphenyl]phenyl] 3-cyano-4-decylbenzoate Traditional Name: 3-cyano-4-decyl-benzoic acid [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] ester Formula: C35H40ClNO4 MolecularWeight: 574.1494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C(C(C)C)Cl)C#N

Isomeric SMILES

CCCCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C(C(C)C)Cl)C#N

InChI

InChI=1S/C35H40ClNO4/c1-4-5-6-7-8-9-10-11-12-26-13-14-29(23-30(26)24-37)34(38)40-31-19-15-27(16-20-31)28-17-21-32(22-18-28)41-35(39)33(36)25(2)3/h13-23,25,33H,4-12H2,1-3H3