2-[1,3,3-tris(oxidanylidene)benzo[e][1,2]benzothiazol-2-yl]ethanoic acid

Systemtic Name: 2-[1,3,3-tris(oxidanylidene)benzo[e][1,2]benzothiazol-2-yl]ethanoic acid Openeye Name: 2-(1,3,3-trioxobenzo[e][1,2]benzothiazol-2-yl)acetic acid CAS Name: 2-(1,3,3-trioxo-2-benzo[e][1,2]benzothiazolyl)acetic acid IUPAC Name: 2-(1,3,3-trioxobenzo[e][1,2]benzothiazol-2-yl)acetic acid Traditional Name: 2-(1,3,3-triketobenzo[e][1,2]benzothiazol-2-yl)acetic acid Formula: C13H9NO5S MolecularWeight: 291.27926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=O)N(S3(=O)=O)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=O)N(S3(=O)=O)CC(=O)O

InChI

InChI=1S/C13H9NO5S/c15-11(16)7-14-13(17)12-9-4-2-1-3-8(9)5-6-10(12)20(14,18)19/h1-6H,7H2,(H,15,16)