calcium 4-dodecylbenzenesulfonate

Systemtic Name: calcium 4-dodecylbenzenesulfonate Openeye Name: calcium 4-dodecylbenzenesulfonate CAS Name: calcium 4-dodecylbenzenesulfonate IUPAC Name: calcium 4-dodecylbenzenesulfonate Traditional Name: calcium 4-laurylbesylate Formula: C36H58CaO6S2 MolecularWeight: 691.05012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H30O3S.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;/h2*13-16H,2-12H2,1H3,(H,19,20,21);/q;;+2/p-2