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: C18H29CaO3S+ MolecularWeight: 365.56406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30O3S.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;/h13-16H,2-12H2,1H3,(H,19,20,21);/q;+2/p-1