calcium 2-nonadecan-2-ylbenzenesulfonate

Systemtic Name: calcium 2-nonadecan-2-ylbenzenesulfonate Openeye Name: calcium 2-(1-methyloctadecyl)benzenesulfonate CAS Name: calcium 2-nonadecan-2-ylbenzenesulfonate IUPAC Name: calcium 2-nonadecan-2-ylbenzenesulfonate Traditional Name: calcium 2-(1-methyloctadecyl)besylate Formula: C50H86CaO6S2 MolecularWeight: 887.42224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C)C1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCC(C)C1=CC=CC=C1S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C)C1=CC=CC=C1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCC(C)C1=CC=CC=C1S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/2C25H44O3S.Ca/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(2)24-21-18-19-22-25(24)29(26,27)28;/h2*18-19,21-23H,3-17,20H2,1-2H3,(H,26,27,28);/q;;+2/p-2