dihexadecyl isoquinoline-1,4-dicarboxylate

Systemtic Name: dihexadecyl isoquinoline-1,4-dicarboxylate Openeye Name: dihexadecyl isoquinoline-1,4-dicarboxylate CAS Name: isoquinoline-1,4-dicarboxylic acid dihexadecyl ester IUPAC Name: dihexadecyl isoquinoline-1,4-dicarboxylate Traditional Name: isoquinoline-1,4-dicarboxylic acid dicetyl ester Formula: C43H71NO4 MolecularWeight: 666.02814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CN=C(C2=CC=CC=C21)C(=O)OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CN=C(C2=CC=CC=C21)C(=O)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C43H71NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35-47-42(45)40-37-44-41(39-34-30-29-33-38(39)40)43(46)48-36-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,33-34,37H,3-28,31-32,35-36H2,1-2H3