sodium 3-[(2Z)-2-(2-sulfanylidenepropylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate

Systemtic Name: sodium 3-[(2Z)-2-(2-sulfanylidenepropylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Openeye Name: sodium 3-[(2Z)-2-(2-thioxopropylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate CAS Name: sodium 3-[(2Z)-2-(2-sulfanylidenepropylidene)-1,3-benzothiazol-3-yl]-1-propanesulfonate IUPAC Name: sodium 3-[(2Z)-2-(2-sulfanylidenepropylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Traditional Name: sodium 3-[(2Z)-2-(2-thioxopropylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Formula: C13H14NNaO3S3 MolecularWeight: 351.43993

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)C=C1N(C2=CC=CC=C2S1)CCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=S)/C=C\1/N(C2=CC=CC=C2S1)CCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H15NO3S3.Na/c1-10(18)9-13-14(7-4-8-20(15,16)17)11-5-2-3-6-12(11)19-13;/h2-3,5-6,9H,4,7-8H2,1H3,(H,15,16,17);/q;+1/p-1/b13-9-;