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sodium 5-(carbamothioylamino)benzene-1,3-dicarboxylic acid

sodium 5-(carbamothioylamino)benzene-1,3-dicarboxylic acid

Systemtic Name:sodium 5-(carbamothioylamino)benzene-1,3-dicarboxylic acid
Openeye Name:sodium 5-(carbamothioylamino)benzene-1,3-dicarboxylic acid
CAS Name:sodium 5-(carbamothioylamino)benzene-1,3-dicarboxylic acid
IUPAC Name:sodium 5-(carbamothioylamino)benzene-1,3-dicarboxylic acid
Traditional Name:sodium 5-thioureidoisophthalic acid
Formula: C9H8N2NaO4S+
MolecularWeight: 263.22559
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)O)NC(=S)N)C(=O)O.[Na+]


Isomeric SMILES

C1=C(C=C(C=C1C(=O)O)NC(=S)N)C(=O)O.[Na+]


InChI

InChI=1S/C9H8N2O4S.Na/c10-9(16)11-6-2-4(7(12)13)1-5(3-6)8(14)15;/h1-3H,(H,12,13)(H,14,15)(H3,10,11,16);/q;+1


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