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calcium 1-benzothiophene-2-sulfonate

calcium 1-benzothiophene-2-sulfonate

Systemtic Name:calcium 1-benzothiophene-2-sulfonate
Openeye Name:calcium benzothiophene-2-sulfonate
CAS Name:calcium 1-benzothiophene-2-sulfonate
IUPAC Name:calcium 1-benzothiophene-2-sulfonate
Traditional Name:calcium benzothiophene-2-sulfonate
Formula: C8H5CaO3S2+
MolecularWeight: 253.3315
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)S(=O)(=O)[O-].[Ca+2]


Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)S(=O)(=O)[O-].[Ca+2]


InChI

InChI=1S/C8H6O3S2.Ca/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8;/h1-5H,(H,9,10,11);/q;+2/p-1


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