sodium 3-benzo[g][1,3]benzothiazol-2-ylpropanoate

Systemtic Name: sodium 3-benzo[g][1,3]benzothiazol-2-ylpropanoate Openeye Name: sodium 3-benzo[g][1,3]benzothiazol-2-ylpropanoate CAS Name: sodium 3-(2-benzo[g][1,3]benzothiazolyl)propanoate IUPAC Name: sodium 3-benzo[g][1,3]benzothiazol-2-ylpropanoate Traditional Name: sodium 3-benzo[g][1,3]benzothiazol-2-ylpropionate Formula: C14H10NNaO2S MolecularWeight: 279.28947

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2SC(=N3)CCC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2SC(=N3)CCC(=O)[O-].[Na+]

InChI

InChI=1S/C14H11NO2S.Na/c16-13(17)8-7-12-15-11-6-5-9-3-1-2-4-10(9)14(11)18-12;/h1-6H,7-8H2,(H,16,17);/q;+1/p-1