heptyl 2-carbonochloridoyl-6-methyl-benzoate

Systemtic Name: heptyl 2-carbonochloridoyl-6-methyl-benzoate Openeye Name: heptyl 2-chlorocarbonyl-6-methyl-benzoate CAS Name: 2-carbonochloridoyl-6-methylbenzoic acid heptyl ester IUPAC Name: heptyl 2-carbonochloridoyl-6-methylbenzoate Traditional Name: 2-chlorocarbonyl-6-methyl-benzoic acid heptyl ester Formula: C16H21ClO3 MolecularWeight: 296.78914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(C=CC=C1C)C(=O)Cl

Isomeric SMILES

CCCCCCCOC(=O)C1=C(C=CC=C1C)C(=O)Cl

InChI

InChI=1S/C16H21ClO3/c1-3-4-5-6-7-11-20-16(19)14-12(2)9-8-10-13(14)15(17)18/h8-10H,3-7,11H2,1-2H3