bis[(2-octylphenyl)methyl] benzene-1,2-dicarboxylate

Systemtic Name: bis[(2-octylphenyl)methyl] benzene-1,2-dicarboxylate Openeye Name: bis[(2-octylphenyl)methyl] benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid bis[(2-octylphenyl)methyl] ester IUPAC Name: bis[(2-octylphenyl)methyl] benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid bis(2-octylbenzyl) ester Formula: C38H50O4 MolecularWeight: 570.8012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1COC(=O)C2=CC=CC=C2C(=O)OCC3=CC=CC=C3CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1COC(=O)C2=CC=CC=C2C(=O)OCC3=CC=CC=C3CCCCCCCC

InChI

InChI=1S/C38H50O4/c1-3-5-7-9-11-13-21-31-23-15-17-25-33(31)29-41-37(39)35-27-19-20-28-36(35)38(40)42-30-34-26-18-16-24-32(34)22-14-12-10-8-6-4-2/h15-20,23-28H,3-14,21-22,29-30H2,1-2H3