5-methyl-2-(4-methyl-3,5-disulfonato-phenyl)-1,3-dihydrobenzotriazole-4,6-disulfonate

Systemtic Name: 5-methyl-2-(4-methyl-3,5-disulfonato-phenyl)-1,3-dihydrobenzotriazole-4,6-disulfonate Openeye Name: 5-methyl-2-(4-methyl-3,5-disulfonato-phenyl)-1,3-dihydrobenzotriazole-4,6-disulfonate CAS Name: 5-methyl-2-(4-methyl-3,5-disulfonatophenyl)-1,3-dihydrobenzotriazole-4,6-disulfonate IUPAC Name: 5-methyl-2-(4-methyl-3,5-disulfonatophenyl)-1,3-dihydrobenzotriazole-4,6-disulfonate Traditional Name: 5-methyl-2-(4-methyl-3,5-disulfonato-phenyl)-1,3-dihydrobenzotriazole-4,6-disulfonate Formula: C14H11N3O12S4-4 MolecularWeight: 541.51004

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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)/p-4