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

Systemtic Name: O2-(2-chloranyl-2-methyl-butyl) O1-phenyl 4-hexoxybenzene-1,2-dicarboxylate Openeye Name: O2-(2-chloro-2-methyl-butyl) O1-phenyl 4-hexoxybenzene-1,2-dicarboxylate CAS Name: 4-hexoxybenzene-1,2-dicarboxylic acid O2-(2-chloro-2-methylbutyl) ester O1-phenyl ester IUPAC Name: 2-O-(2-chloro-2-methylbutyl) 1-O-phenyl 4-hexoxybenzene-1,2-dicarboxylate Traditional Name: 4-hexoxybenzene-1,2-dicarboxylic acid O2-(2-chloro-2-methyl-butyl) ester O1-phenyl ester Formula: C25H31ClO5 MolecularWeight: 446.96364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=CC=C2)C(=O)OCC(C)(CC)Cl

Isomeric SMILES

CCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=CC=C2)C(=O)OCC(C)(CC)Cl

InChI

InChI=1S/C25H31ClO5/c1-4-6-7-11-16-29-20-14-15-21(24(28)31-19-12-9-8-10-13-19)22(17-20)23(27)30-18-25(3,26)5-2/h8-10,12-15,17H,4-7,11,16,18H2,1-3H3