sodium dihexadecyl benzene-1,3-dicarboxylate

Systemtic Name: sodium dihexadecyl benzene-1,3-dicarboxylate Openeye Name: sodium dihexadecyl benzene-1,3-dicarboxylate CAS Name: sodium benzene-1,3-dicarboxylic acid dihexadecyl ester IUPAC Name: sodium dihexadecyl benzene-1,3-dicarboxylate Traditional Name: sodium benzene-1,3-dicarboxylic acid dicetyl ester Formula: C40H70NaO4+ MolecularWeight: 637.97117

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)C(=O)OCCCCCCCCCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)C(=O)OCCCCCCCCCCCCCCCC.[Na+]

InChI

InChI=1S/C40H70O4.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-43-39(41)37-32-31-33-38(36-37)40(42)44-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h31-33,36H,3-30,34-35H2,1-2H3;/q;+1