sodium O1-hexadecyl O2-octadecyl benzene-1,2-dicarboxylate

Systemtic Name: sodium O1-hexadecyl O2-octadecyl benzene-1,2-dicarboxylate Openeye Name: sodium O1-hexadecyl O2-octadecyl benzene-1,2-dicarboxylate CAS Name: sodium benzene-1,2-dicarboxylic acid O1-hexadecyl ester O2-octadecyl ester IUPAC Name: sodium 1-O-hexadecyl 2-O-octadecyl benzene-1,2-dicarboxylate Traditional Name: sodium benzene-1,2-dicarboxylic acid O1-cetyl ester O2-stearyl ester Formula: C42H74NaO4+ MolecularWeight: 666.02433

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCCCCCC.[Na+]

InChI

InChI=1S/C42H74O4.Na/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-34-38-46-42(44)40-36-32-31-35-39(40)41(43)45-37-33-29-27-25-23-21-18-16-14-12-10-8-6-4-2;/h31-32,35-36H,3-30,33-34,37-38H2,1-2H3;/q;+1