trisodium 8-azanylnaphthalene-1,3,5-trisulfonate

Systemtic Name: trisodium 8-azanylnaphthalene-1,3,5-trisulfonate Openeye Name: trisodium 8-aminonaphthalene-1,3,5-trisulfonate CAS Name: trisodium 8-aminonaphthalene-1,3,5-trisulfonate IUPAC Name: trisodium 8-aminonaphthalene-1,3,5-trisulfonate Traditional Name: trisodium 8-aminonaphthalene-1,3,5-trisulfonate Formula: C10H6NNa3O9S3 MolecularWeight: 449.32025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(C=C(C2=C1N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C2C=C(C=C(C2=C1N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C10H9NO9S3.3Na/c11-7-1-2-8(22(15,16)17)6-3-5(21(12,13)14)4-9(10(6)7)23(18,19)20;;;/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20);;;/q;3*+1/p-3