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

Systemtic Name: O3-(2-methylbutyl) O1-phenyl 4-(4-dodecoxyphenyl)benzene-1,3-dicarboxylate Openeye Name: O3-(2-methylbutyl) O1-phenyl 4-(4-dodecoxyphenyl)benzene-1,3-dicarboxylate CAS Name: 4-(4-dodecoxyphenyl)benzene-1,3-dicarboxylic acid O3-(2-methylbutyl) ester O1-phenyl ester IUPAC Name: 3-O-(2-methylbutyl) 1-O-phenyl 4-(4-dodecoxyphenyl)benzene-1,3-dicarboxylate Traditional Name: 4-(4-lauryloxyphenyl)benzene-1,3-dicarboxylic acid O3-(2-methylbutyl) ester O1-phenyl ester Formula: C37H48O5 MolecularWeight: 572.77402

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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)CC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)C(=O)OCC(C)CC

InChI

InChI=1S/C37H48O5/c1-4-6-7-8-9-10-11-12-13-17-26-40-32-23-20-30(21-24-32)34-25-22-31(36(38)42-33-18-15-14-16-19-33)27-35(34)37(39)41-28-29(3)5-2/h14-16,18-25,27,29H,4-13,17,26,28H2,1-3H3