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sodium 6-methyl-3-sulfo-1-benzothiophene-2-carboxylate

sodium 6-methyl-3-sulfo-1-benzothiophene-2-carboxylate

Systemtic Name:sodium 6-methyl-3-sulfo-1-benzothiophene-2-carboxylate
Openeye Name:sodium 6-methyl-3-sulfo-benzothiophene-2-carboxylate
CAS Name:sodium 6-methyl-3-sulfo-1-benzothiophene-2-carboxylate
IUPAC Name:sodium 6-methyl-3-sulfo-1-benzothiophene-2-carboxylate
Traditional Name:sodium 6-methyl-3-sulfo-benzothiophene-2-carboxylate
Formula: C10H7NaO5S2
MolecularWeight: 294.27935
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)[O-])S(=O)(=O)O.[Na+]


Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)[O-])S(=O)(=O)O.[Na+]


InChI

InChI=1S/C10H8O5S2.Na/c1-5-2-3-6-7(4-5)16-8(10(11)12)9(6)17(13,14)15;/h2-4H,1H3,(H,11,12)(H,13,14,15);/q;+1/p-1


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