bis(2,5-dimethyl-2-oxidanyl-1,3-disulfo-naphthalen-1-yl)azaniumylideneazanide

Systemtic Name: bis(2,5-dimethyl-2-oxidanyl-1,3-disulfo-naphthalen-1-yl)azaniumylideneazanide Openeye Name: bis(2-hydroxy-2,5-dimethyl-1,3-disulfo-1-naphthyl)iminioazanide CAS Name: bis(2-hydroxy-2,5-dimethyl-1,3-disulfo-1-naphthalenyl)iminioazanide IUPAC Name: bis(2-hydroxy-2,5-dimethyl-1,3-disulfonaphthalen-1-yl)azaniumylideneazanide Traditional Name: bis(2-hydroxy-2,5-dimethyl-1,3-disulfo-1-naphthyl)iminioazanide Formula: C24H26N2O14S4 MolecularWeight: 694.72824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(C(C2([N+](=[N-])C3(C4=C(C=C(C3(C)O)S(=O)(=O)O)C(=CC=C4)C)S(=O)(=O)O)S(=O)(=O)O)(C)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC=CC2=C1C=C(C(C2([N+](=[N-])C3(C4=C(C=C(C3(C)O)S(=O)(=O)O)C(=CC=C4)C)S(=O)(=O)O)S(=O)(=O)O)(C)O)S(=O)(=O)O

InChI

InChI=1S/C24H26N2O14S4/c1-13-7-5-9-17-15(13)11-19(41(29,30)31)21(3,27)23(17,43(35,36)37)26(25)24(44(38,39)40)18-10-6-8-14(2)16(18)12-20(22(24,4)28)42(32,33)34/h5-12,27-28H,1-4H3,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)