calcium 2-icosylbenzenesulfonate

Systemtic Name: calcium 2-icosylbenzenesulfonate Openeye Name: calcium 2-icosylbenzenesulfonate CAS Name: calcium 2-eicosylbenzenesulfonate IUPAC Name: calcium 2-icosylbenzenesulfonate Traditional Name: calcium 2-arachylbesylate Formula: C26H45CaO3S+ MolecularWeight: 477.7767

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/C26H46O3S.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23-20-21-24-26(25)30(27,28)29;/h20-21,23-24H,2-19,22H2,1H3,(H,27,28,29);/q;+2/p-1