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

Systemtic Name: O2-ethyl O1-(4-methylpentyl) 4-chloranyl-5-ethyl-benzene-1,2-dicarboxylate Openeye Name: O2-ethyl O1-isohexyl 4-chloro-5-ethyl-benzene-1,2-dicarboxylate CAS Name: 4-chloro-5-ethylbenzene-1,2-dicarboxylic acid O2-ethyl ester O1-(4-methylpentyl) ester IUPAC Name: 2-O-ethyl 1-O-(4-methylpentyl) 4-chloro-5-ethylbenzene-1,2-dicarboxylate Traditional Name: 4-chloro-5-ethyl-benzene-1,2-dicarboxylic acid O2-ethyl ester O1-isohexyl ester Formula: C18H25ClO4 MolecularWeight: 340.8417

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)OCCCC(C)C)C(=O)OCC)Cl

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)OCCCC(C)C)C(=O)OCC)Cl

InChI

InChI=1S/C18H25ClO4/c1-5-13-10-14(18(21)23-9-7-8-12(3)4)15(11-16(13)19)17(20)22-6-2/h10-12H,5-9H2,1-4H3