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

Systemtic Name: O3-(3-chloranyl-2-methyl-butyl) O1-phenyl 4-(4-octoxyphenyl)benzene-1,3-dicarboxylate Openeye Name: O3-(3-chloro-2-methyl-butyl) O1-phenyl 4-(4-octoxyphenyl)benzene-1,3-dicarboxylate CAS Name: 4-(4-octoxyphenyl)benzene-1,3-dicarboxylic acid O3-(3-chloro-2-methylbutyl) ester O1-phenyl ester IUPAC Name: 3-O-(3-chloro-2-methylbutyl) 1-O-phenyl 4-(4-octoxyphenyl)benzene-1,3-dicarboxylate Traditional Name: 4-(4-octoxyphenyl)benzene-1,3-dicarboxylic acid O3-(3-chloro-2-methyl-butyl) ester O1-phenyl ester Formula: C33H39ClO5 MolecularWeight: 551.11276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)C(=O)OCC(C)C(C)Cl

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)C(=O)OCC(C)C(C)Cl

InChI

InChI=1S/C33H39ClO5/c1-4-5-6-7-8-12-21-37-28-18-15-26(16-19-28)30-20-17-27(32(35)39-29-13-10-9-11-14-29)22-31(30)33(36)38-23-24(2)25(3)34/h9-11,13-20,22,24-25H,4-8,12,21,23H2,1-3H3