O3-octan-2-yl O1-phenyl 4-(4-octoxyphenyl)benzene-1,3-dicarboxylate

Systemtic Name: O3-octan-2-yl O1-phenyl 4-(4-octoxyphenyl)benzene-1,3-dicarboxylate Openeye Name: O3-(1-methylheptyl) O1-phenyl 4-(4-octoxyphenyl)benzene-1,3-dicarboxylate CAS Name: 4-(4-octoxyphenyl)benzene-1,3-dicarboxylic acid O3-octan-2-yl ester O1-phenyl ester IUPAC Name: 3-O-octan-2-yl 1-O-phenyl 4-(4-octoxyphenyl)benzene-1,3-dicarboxylate Traditional Name: 4-(4-octoxyphenyl)benzene-1,3-dicarboxylic acid O3-(1-methylheptyl) ester O1-phenyl ester Formula: C36H46O5 MolecularWeight: 558.74744

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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)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)C(=O)OC(C)CCCCCC

InChI

InChI=1S/C36H46O5/c1-4-6-8-10-11-16-26-39-31-23-20-29(21-24-31)33-25-22-30(35(37)41-32-18-14-12-15-19-32)27-34(33)36(38)40-28(3)17-13-9-7-5-2/h12,14-15,18-25,27-28H,4-11,13,16-17,26H2,1-3H3