[4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl] 4-(4,8-dimethylnonyl)cyclohexane-1-carboxylate

Systemtic Name: [4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl] 4-(4,8-dimethylnonyl)cyclohexane-1-carboxylate Openeye Name: [4-(2-chloro-3-methyl-butanoyl)oxyphenyl] 4-(4,8-dimethylnonyl)cyclohexanecarboxylate CAS Name: 4-(4,8-dimethylnonyl)-1-cyclohexanecarboxylic acid [4-(2-chloro-3-methyl-1-oxobutoxy)phenyl] ester IUPAC Name: [4-(2-chloro-3-methylbutanoyl)oxyphenyl] 4-(4,8-dimethylnonyl)cyclohexane-1-carboxylate Traditional Name: 4-(4,8-dimethylnonyl)cyclohexanecarboxylic acid [4-(2-chloro-3-methyl-butanoyl)oxyphenyl] ester Formula: C29H45ClO4 MolecularWeight: 493.1182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)OC(=O)C(C(C)C)Cl

Isomeric SMILES

CC(C)CCCC(C)CCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)OC(=O)C(C(C)C)Cl

InChI

InChI=1S/C29H45ClO4/c1-20(2)8-6-9-22(5)10-7-11-23-12-14-24(15-13-23)28(31)33-25-16-18-26(19-17-25)34-29(32)27(30)21(3)4/h16-24,27H,6-15H2,1-5H3