O3-(2-chloranyl-2-methyl-butyl) O1-phenyl 4-(3-chloranyl-4-hexadecoxy-phenyl)benzene-1,3-dicarboxylate

Systemtic Name: O3-(2-chloranyl-2-methyl-butyl) O1-phenyl 4-(3-chloranyl-4-hexadecoxy-phenyl)benzene-1,3-dicarboxylate Openeye Name: O3-(2-chloro-2-methyl-butyl) O1-phenyl 4-(3-chloro-4-hexadecoxy-phenyl)benzene-1,3-dicarboxylate CAS Name: 4-(3-chloro-4-hexadecoxyphenyl)benzene-1,3-dicarboxylic acid O3-(2-chloro-2-methylbutyl) ester O1-phenyl ester IUPAC Name: 3-O-(2-chloro-2-methylbutyl) 1-O-phenyl 4-(3-chloro-4-hexadecoxyphenyl)benzene-1,3-dicarboxylate Traditional Name: 4-(4-cetyloxy-3-chloro-phenyl)benzene-1,3-dicarboxylic acid O3-(2-chloro-2-methyl-butyl) ester O1-phenyl ester Formula: C41H54Cl2O5 MolecularWeight: 697.77046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)C(=O)OCC(C)(CC)Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)C(=O)OCC(C)(CC)Cl)Cl

InChI

InChI=1S/C41H54Cl2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-28-46-38-27-25-32(30-37(38)42)35-26-24-33(39(44)48-34-22-19-18-20-23-34)29-36(35)40(45)47-31-41(3,43)5-2/h18-20,22-27,29-30H,4-17,21,28,31H2,1-3H3