O2-ethyl O1-(4-methylpentyl) 4-chloranyl-5-methyl-benzene-1,2-dicarboxylate

Systemtic Name: O2-ethyl O1-(4-methylpentyl) 4-chloranyl-5-methyl-benzene-1,2-dicarboxylate Openeye Name: O2-ethyl O1-isohexyl 4-chloro-5-methyl-benzene-1,2-dicarboxylate CAS Name: 4-chloro-5-methylbenzene-1,2-dicarboxylic acid O2-ethyl ester O1-(4-methylpentyl) ester IUPAC Name: 2-O-ethyl 1-O-(4-methylpentyl) 4-chloro-5-methylbenzene-1,2-dicarboxylate Traditional Name: 4-chloro-5-methyl-benzene-1,2-dicarboxylic acid O2-ethyl ester O1-isohexyl ester Formula: C17H23ClO4 MolecularWeight: 326.81512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1C(=O)OCCCC(C)C)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1C(=O)OCCCC(C)C)C)Cl

InChI

InChI=1S/C17H23ClO4/c1-5-21-16(19)14-10-15(18)12(4)9-13(14)17(20)22-8-6-7-11(2)3/h9-11H,5-8H2,1-4H3