trisodium 7-[[4-[(4-aminophenyl)diazenyl]phenyl]diazenyl]naphthalene-1,3,5-trisulfonate

Systemtic Name: trisodium 7-[[4-[(4-aminophenyl)diazenyl]phenyl]diazenyl]naphthalene-1,3,5-trisulfonate Openeye Name: trisodium 7-[4-(4-aminophenyl)azophenyl]azonaphthalene-1,3,5-trisulfonate CAS Name: trisodium 7-[4-(4-aminophenyl)azophenyl]azonaphthalene-1,3,5-trisulfonate IUPAC Name: trisodium 7-[[4-[(4-aminophenyl)diazenyl]phenyl]diazenyl]naphthalene-1,3,5-trisulfonate Traditional Name: trisodium 7-[4-(4-aminophenyl)azophenyl]azonaphthalene-1,3,5-trisulfonate Formula: C22H14N5Na3O9S3 MolecularWeight: 657.53897

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)N=NC3=CC(=C4C=C(C=C(C4=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)N=NC3=CC(=C4C=C(C=C(C4=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C22H17N5O9S3.3Na/c23-13-1-3-14(4-2-13)24-25-15-5-7-16(8-6-15)26-27-17-9-19-20(21(10-17)38(31,32)33)11-18(37(28,29)30)12-22(19)39(34,35)36;;;/h1-12H,23H2,(H,28,29,30)(H,31,32,33)(H,34,35,36);;;/q;3*+1/p-3