O2-(3-chloranyl-2-methyl-butyl) O1-phenyl 4-octoxybenzene-1,2-dicarboxylate

Systemtic Name: O2-(3-chloranyl-2-methyl-butyl) O1-phenyl 4-octoxybenzene-1,2-dicarboxylate Openeye Name: O2-(3-chloro-2-methyl-butyl) O1-phenyl 4-octoxybenzene-1,2-dicarboxylate CAS Name: 4-octoxybenzene-1,2-dicarboxylic acid O2-(3-chloro-2-methylbutyl) ester O1-phenyl ester IUPAC Name: 2-O-(3-chloro-2-methylbutyl) 1-O-phenyl 4-octoxybenzene-1,2-dicarboxylate Traditional Name: 4-octoxybenzene-1,2-dicarboxylic acid O2-(3-chloro-2-methyl-butyl) ester O1-phenyl ester Formula: C27H35ClO5 MolecularWeight: 475.0168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=CC=C2)C(=O)OCC(C)C(C)Cl

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=CC=C2)C(=O)OCC(C)C(C)Cl

InChI

InChI=1S/C27H35ClO5/c1-4-5-6-7-8-12-17-31-23-15-16-24(27(30)33-22-13-10-9-11-14-22)25(18-23)26(29)32-19-20(2)21(3)28/h9-11,13-16,18,20-21H,4-8,12,17,19H2,1-3H3