[2-(2-chloranyl-4-methyl-phenyl)-4-methyl-3-oxidanylidene-cyclopenten-1-yl] hexadecanoate

Systemtic Name: [2-(2-chloranyl-4-methyl-phenyl)-4-methyl-3-oxidanylidene-cyclopenten-1-yl] hexadecanoate Openeye Name: [2-(2-chloro-4-methyl-phenyl)-4-methyl-3-oxo-cyclopenten-1-yl] hexadecanoate CAS Name: hexadecanoic acid [2-(2-chloro-4-methylphenyl)-4-methyl-3-oxo-1-cyclopentenyl] ester IUPAC Name: [2-(2-chloro-4-methylphenyl)-4-methyl-3-oxocyclopenten-1-yl] hexadecanoate Traditional Name: palmitic acid [2-(2-chloro-4-methyl-phenyl)-3-keto-4-methyl-cyclopenten-1-yl] ester Formula: C29H43ClO3 MolecularWeight: 475.10292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=C(C(=O)C(C1)C)C2=C(C=C(C=C2)C)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=C(C(=O)C(C1)C)C2=C(C=C(C=C2)C)Cl

InChI

InChI=1S/C29H43ClO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(31)33-26-21-23(3)29(32)28(26)24-19-18-22(2)20-25(24)30/h18-20,23H,4-17,21H2,1-3H3