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

Systemtic Name: O3-(2-methylbutyl) O1-phenyl 4-(3-chloranyl-4-hexadecoxy-phenyl)benzene-1,3-dicarboxylate Openeye Name: O3-(2-methylbutyl) 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-methylbutyl) ester O1-phenyl ester IUPAC Name: 3-O-(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-methylbutyl) ester O1-phenyl ester Formula: C41H55ClO5 MolecularWeight: 663.3254

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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

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

InChI

InChI=1S/C41H55ClO5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-28-45-39-27-25-33(30-38(39)42)36-26-24-34(40(43)47-35-22-19-18-20-23-35)29-37(36)41(44)46-31-32(3)5-2/h18-20,22-27,29-30,32H,4-17,21,28,31H2,1-3H3