5-methyl-2-(4-methyl-3,5-disulfo-phenyl)-1,3-dihydrobenzotriazole-4,6-disulfonic acid

Systemtic Name: 5-methyl-2-(4-methyl-3,5-disulfo-phenyl)-1,3-dihydrobenzotriazole-4,6-disulfonic acid Openeye Name: 5-methyl-2-(4-methyl-3,5-disulfo-phenyl)-1,3-dihydrobenzotriazole-4,6-disulfonic acid CAS Name: 5-methyl-2-(4-methyl-3,5-disulfophenyl)-1,3-dihydrobenzotriazole-4,6-disulfonic acid IUPAC Name: 5-methyl-2-(4-methyl-3,5-disulfophenyl)-1,3-dihydrobenzotriazole-4,6-disulfonic acid Traditional Name: 5-methyl-2-(4-methyl-3,5-disulfo-phenyl)-1,3-dihydrobenzotriazole-4,6-disulfonic acid Formula: C14H15N3O12S4 MolecularWeight: 545.5418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)O)N2NC3=CC(=C(C(=C3N2)S(=O)(=O)O)C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)O)N2NC3=CC(=C(C(=C3N2)S(=O)(=O)O)C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H15N3O12S4/c1-6-10(30(18,19)20)3-8(4-11(6)31(21,22)23)17-15-9-5-12(32(24,25)26)7(2)14(13(9)16-17)33(27,28)29/h3-5,15-16H,1-2H3,(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)