sodium 8-azanylnaphthalene-1,3,6-trisulfonic acid

Systemtic Name: sodium 8-azanylnaphthalene-1,3,6-trisulfonic acid Openeye Name: sodium 8-aminonaphthalene-1,3,6-trisulfonic acid CAS Name: sodium 8-aminonaphthalene-1,3,6-trisulfonic acid IUPAC Name: sodium 8-aminonaphthalene-1,3,6-trisulfonic acid Traditional Name: sodium 8-aminonaphthalene-1,3,6-trisulfonic acid Formula: C10H9NNaO9S3+ MolecularWeight: 406.36453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)N)S(=O)(=O)O)S(=O)(=O)O.[Na+]

Isomeric SMILES

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)N)S(=O)(=O)O)S(=O)(=O)O.[Na+]

InChI

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