calcium; 2-dodecylbenzenesulfonate; methanol

Systemtic Name: calcium; 2-dodecylbenzenesulfonate; methanol Openeye Name: calcium; 2-dodecylbenzenesulfonate; methanol CAS Name: calcium; 2-dodecylbenzenesulfonate; methanol IUPAC Name: calcium; 2-dodecylbenzenesulfonate; methanol Traditional Name: calcium; 2-laurylbesylate; methanol Formula: C19H33CaO4S+ MolecularWeight: 397.60592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CO.[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CO.[Ca+2]

InChI

InChI=1S/C18H30O3S.CH4O.Ca/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-2;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);2H,1H3;/q;;+2/p-1