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sodium 2-carboxy-6-chloranyl-1-benzothiophene-3-sulfonate

sodium 2-carboxy-6-chloranyl-1-benzothiophene-3-sulfonate

Systemtic Name:sodium 2-carboxy-6-chloranyl-1-benzothiophene-3-sulfonate
Openeye Name:sodium 2-carboxy-6-chloro-benzothiophene-3-sulfonate
CAS Name:sodium 2-carboxy-6-chloro-1-benzothiophene-3-sulfonate
IUPAC Name:sodium 2-carboxy-6-chloro-1-benzothiophene-3-sulfonate
Traditional Name:sodium 2-carboxy-6-chloro-benzothiophene-3-sulfonate
Formula: C9H4ClNaO5S2
MolecularWeight: 314.69783
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)SC(=C2S(=O)(=O)[O-])C(=O)O.[Na+]


Isomeric SMILES

C1=CC2=C(C=C1Cl)SC(=C2S(=O)(=O)[O-])C(=O)O.[Na+]


InChI

InChI=1S/C9H5ClO5S2.Na/c10-4-1-2-5-6(3-4)16-7(9(11)12)8(5)17(13,14)15;/h1-3H,(H,11,12)(H,13,14,15);/q;+1/p-1


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