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calcium benzenesulfonate

calcium benzenesulfonate

Systemtic Name:calcium benzenesulfonate
Openeye Name:calcium benzenesulfonate
CAS Name:calcium benzenesulfonate
IUPAC Name:calcium benzenesulfonate
Traditional Name:calcium dibesylate
Formula: C12H10CaO6S2
MolecularWeight: 354.4122
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/2C6H6O3S.Ca/c2*7-10(8,9)6-4-2-1-3-5-6;/h2*1-5H,(H,7,8,9);/q;;+2/p-2


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