sodium 2-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methoxy]ethanesulfonate

Systemtic Name: sodium 2-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methoxy]ethanesulfonate Openeye Name: sodium 2-[(2-thioxo-1,3-benzothiazol-3-yl)methoxy]ethanesulfonate CAS Name: sodium 2-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methoxy]ethanesulfonate IUPAC Name: sodium 2-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methoxy]ethanesulfonate Traditional Name: sodium 2-[(2-thioxo-1,3-benzothiazol-3-yl)methoxy]ethanesulfonate Formula: C10H10NNaO4S3 MolecularWeight: 327.37547

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO4S3.Na/c12-18(13,14)6-5-15-7-11-8-3-1-2-4-9(8)17-10(11)16;/h1-4H,5-7H2,(H,12,13,14);/q;+1/p-1