2-(4-azanyl-3-methyl-5-sulfo-phenyl)-4,6-dimethyl-1,3-benzothiazole-7-sulfonic acid

Systemtic Name: 2-(4-azanyl-3-methyl-5-sulfo-phenyl)-4,6-dimethyl-1,3-benzothiazole-7-sulfonic acid Openeye Name: 2-(4-amino-3-methyl-5-sulfo-phenyl)-4,6-dimethyl-1,3-benzothiazole-7-sulfonic acid CAS Name: 2-(4-amino-3-methyl-5-sulfophenyl)-4,6-dimethyl-1,3-benzothiazole-7-sulfonic acid IUPAC Name: 2-(4-amino-3-methyl-5-sulfophenyl)-4,6-dimethyl-1,3-benzothiazole-7-sulfonic acid Traditional Name: 2-(4-amino-3-methyl-5-sulfo-phenyl)-4,6-dimethyl-1,3-benzothiazole-7-sulfonic acid Formula: C16H16N2O6S3 MolecularWeight: 428.50304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1N=C(S2)C3=CC(=C(C(=C3)S(=O)(=O)O)N)C)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C2=C1N=C(S2)C3=CC(=C(C(=C3)S(=O)(=O)O)N)C)S(=O)(=O)O)C

InChI

InChI=1S/C16H16N2O6S3/c1-7-5-10(6-11(12(7)17)26(19,20)21)16-18-13-8(2)4-9(3)15(14(13)25-16)27(22,23)24/h4-6H,17H2,1-3H3,(H,19,20,21)(H,22,23,24)