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

Systemtic Name: O2-(3-chloranyl-2-methyl-butyl) O1-phenyl 4-hexadecoxybenzene-1,2-dicarboxylate Openeye Name: O2-(3-chloro-2-methyl-butyl) O1-phenyl 4-hexadecoxybenzene-1,2-dicarboxylate CAS Name: 4-hexadecoxybenzene-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-hexadecoxybenzene-1,2-dicarboxylate Traditional Name: 4-cetyloxybenzene-1,2-dicarboxylic acid O2-(3-chloro-2-methyl-butyl) ester O1-phenyl ester Formula: C35H51ClO5 MolecularWeight: 587.22944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=CC=C2)C(=O)OCC(C)C(C)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=CC=C2)C(=O)OCC(C)C(C)Cl

InChI

InChI=1S/C35H51ClO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-39-31-23-24-32(35(38)41-30-21-18-17-19-22-30)33(26-31)34(37)40-27-28(2)29(3)36/h17-19,21-24,26,28-29H,4-16,20,25,27H2,1-3H3