2-(4-aminophenyl)-7-sulfo-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-(4-aminophenyl)-7-sulfo-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-(4-aminophenyl)-7-sulfo-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-(4-aminophenyl)-7-sulfo-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-(4-aminophenyl)-7-sulfo-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-(4-aminophenyl)-7-sulfo-1,3-benzothiazole-6-carboxylic acid Formula: C14H10N2O5S2 MolecularWeight: 350.3696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(S2)C(=C(C=C3)C(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(S2)C(=C(C=C3)C(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C14H10N2O5S2/c15-8-3-1-7(2-4-8)13-16-10-6-5-9(14(17)18)12(11(10)22-13)23(19,20)21/h1-6H,15H2,(H,17,18)(H,19,20,21)