calcium 2-dodecyl-6-oxidanyl-benzenesulfonate

Systemtic Name: calcium 2-dodecyl-6-oxidanyl-benzenesulfonate Openeye Name: calcium 2-dodecyl-6-hydroxy-benzenesulfonate CAS Name: calcium 2-dodecyl-6-hydroxybenzenesulfonate IUPAC Name: calcium 2-dodecyl-6-hydroxybenzenesulfonate Traditional Name: calcium 2-hydroxy-6-lauryl-besylate Formula: C36H58CaO8S2 MolecularWeight: 723.04892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=CC=C1)O)S(=O)(=O)[O-].CCCCCCCCCCCCC1=C(C(=CC=C1)O)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=CC=C1)O)S(=O)(=O)[O-].CCCCCCCCCCCCC1=C(C(=CC=C1)O)S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/2C18H30O4S.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17(19)18(16)23(20,21)22;/h2*12,14-15,19H,2-11,13H2,1H3,(H,20,21,22);/q;;+2/p-2