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

Systemtic Name: O3-(3-chloranyl-2-methyl-butyl) O1-phenyl 4-(4-dodecylphenyl)benzene-1,3-dicarboxylate Openeye Name: O3-(3-chloro-2-methyl-butyl) O1-phenyl 4-(4-dodecylphenyl)benzene-1,3-dicarboxylate CAS Name: 4-(4-dodecylphenyl)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-dodecylphenyl)benzene-1,3-dicarboxylate Traditional Name: 4-(4-laurylphenyl)benzene-1,3-dicarboxylic acid O3-(3-chloro-2-methyl-butyl) ester O1-phenyl ester Formula: C37H47ClO4 MolecularWeight: 591.21968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=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

CCCCCCCCCCCCC1=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/C37H47ClO4/c1-4-5-6-7-8-9-10-11-12-14-17-30-20-22-31(23-21-30)34-25-24-32(36(39)42-33-18-15-13-16-19-33)26-35(34)37(40)41-27-28(2)29(3)38/h13,15-16,18-26,28-29H,4-12,14,17,27H2,1-3H3