sodium 3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonate

Systemtic Name: sodium 3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonate Openeye Name: sodium 3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonate CAS Name: sodium 3-(1,3-benzothiazol-2-ylthio)-1-propanesulfonate IUPAC Name: sodium 3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonate Traditional Name: sodium 3-(1,3-benzothiazol-2-ylthio)propane-1-sulfonate Formula: C10H10NNaO3S3 MolecularWeight: 311.37607

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H11NO3S3.Na/c12-17(13,14)7-3-6-15-10-11-8-4-1-2-5-9(8)16-10;/h1-2,4-5H,3,6-7H2,(H,12,13,14);/q;+1/p-1