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

Systemtic Name: disodium 5-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]benzene-1,3-dicarboxylate Openeye Name: disodium 5-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]benzene-1,3-dicarboxylate CAS Name: disodium 5-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]benzene-1,3-dicarboxylate IUPAC Name: disodium 5-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]benzene-1,3-dicarboxylate Traditional Name: disodium 5-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]isophthalate Formula: C16H10N2Na2O6S2 MolecularWeight: 436.36994

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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)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H12N2O6S2.2Na/c1-8-17-13-3-2-12(7-14(13)25-8)26(23,24)18-11-5-9(15(19)20)4-10(6-11)16(21)22;;/h2-7,18H,1H3,(H,19,20)(H,21,22);;/q;2*+1/p-2