calcium 2,3-di(icosyl)benzenesulfonate

Systemtic Name: calcium 2,3-di(icosyl)benzenesulfonate Openeye Name: calcium 2,3-di(icosyl)benzenesulfonate CAS Name: calcium 2,3-di(eicosyl)benzenesulfonate IUPAC Name: calcium 2,3-di(icosyl)benzenesulfonate Traditional Name: calcium 2,3-diarachylbesylate Formula: C46H85CaO3S+ MolecularWeight: 758.3083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)[O-])CCCCCCCCCCCCCCCCCCCC.[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)[O-])CCCCCCCCCCCCCCCCCCCC.[Ca+2]

InChI

InChI=1S/C46H86O3S.Ca/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-40-44-41-39-43-46(50(47,48)49)45(44)42-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h39,41,43H,3-38,40,42H2,1-2H3,(H,47,48,49);/q;+2/p-1