5-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]benzene-1,3-disulfonic acid

Systemtic Name: 5-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]benzene-1,3-disulfonic acid Openeye Name: 5-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]benzene-1,3-disulfonic acid CAS Name: 5-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]benzene-1,3-disulfonic acid IUPAC Name: 5-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]benzene-1,3-disulfonic acid Traditional Name: 5-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]benzene-1,3-disulfonic acid Formula: C14H12N2O8S4 MolecularWeight: 464.51368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H12N2O8S4/c1-8-15-13-3-2-10(7-14(13)25-8)26(17,18)16-9-4-11(27(19,20)21)6-12(5-9)28(22,23)24/h2-7,16H,1H3,(H,19,20,21)(H,22,23,24)