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

Systemtic Name: [4-[4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl]phenyl] 3-cyano-4-hexyl-benzoate Openeye Name: [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] 3-cyano-4-hexyl-benzoate CAS Name: 3-cyano-4-hexylbenzoic 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-hexylbenzoate Traditional Name: 3-cyano-4-hexyl-benzoic acid [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] ester Formula: C31H32ClNO4 MolecularWeight: 518.04308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=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

CCCCCCC1=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/C31H32ClNO4/c1-4-5-6-7-8-22-9-10-25(19-26(22)20-33)30(34)36-27-15-11-23(12-16-27)24-13-17-28(18-14-24)37-31(35)29(32)21(2)3/h9-19,21,29H,4-8H2,1-3H3