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

Systemtic Name: O3-(3-chloranyl-2-methyl-butyl) O1-phenyl 4-(4-dodecoxyphenyl)benzene-1,3-dicarboxylate Openeye Name: O3-(3-chloro-2-methyl-butyl) O1-phenyl 4-(4-dodecoxyphenyl)benzene-1,3-dicarboxylate CAS Name: 4-(4-dodecoxyphenyl)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-dodecoxyphenyl)benzene-1,3-dicarboxylate Traditional Name: 4-(4-lauryloxyphenyl)benzene-1,3-dicarboxylic acid O3-(3-chloro-2-methyl-butyl) ester O1-phenyl ester Formula: C37H47ClO5 MolecularWeight: 607.21908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=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

CCCCCCCCCCCCOC1=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/C37H47ClO5/c1-4-5-6-7-8-9-10-11-12-16-25-41-32-22-19-30(20-23-32)34-24-21-31(36(39)43-33-17-14-13-15-18-33)26-35(34)37(40)42-27-28(2)29(3)38/h13-15,17-24,26,28-29H,4-12,16,25,27H2,1-3H3