2-[(2-methyl-9-oxidanyl-7-sulfo-benzo[g]benzimidazol-1-yl)amino]benzene-1,4-disulfonic acid

Systemtic Name: 2-[(2-methyl-9-oxidanyl-7-sulfo-benzo[g]benzimidazol-1-yl)amino]benzene-1,4-disulfonic acid Openeye Name: 2-[(9-hydroxy-2-methyl-7-sulfo-benzo[g]benzimidazol-1-yl)amino]benzene-1,4-disulfonic acid CAS Name: 2-[(9-hydroxy-2-methyl-7-sulfo-1-benzo[g]benzimidazolyl)amino]benzene-1,4-disulfonic acid IUPAC Name: 2-[(9-hydroxy-2-methyl-7-sulfobenzo[g]benzimidazol-1-yl)amino]benzene-1,4-disulfonic acid Traditional Name: 2-[(9-hydroxy-2-methyl-7-sulfo-benzo[g]benzimidazol-1-yl)amino]benzene-1,4-disulfonic acid Formula: C18H15N3O10S3 MolecularWeight: 529.5208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1NC3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)C4=C(C=C(C=C4C=C2)S(=O)(=O)O)O

Isomeric SMILES

CC1=NC2=C(N1NC3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)C4=C(C=C(C=C4C=C2)S(=O)(=O)O)O

InChI

InChI=1S/C18H15N3O10S3/c1-9-19-13-4-2-10-6-12(33(26,27)28)8-15(22)17(10)18(13)21(9)20-14-7-11(32(23,24)25)3-5-16(14)34(29,30)31/h2-8,20,22H,1H3,(H,23,24,25)(H,26,27,28)(H,29,30,31)