trisodium 1-(dioxidanylsulfonyl)-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate

Systemtic Name: trisodium 1-(dioxidanylsulfonyl)-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate Openeye Name: trisodium 1-hydroperoxysulfonyl-3-(4-sulfonatophenyl)azo-naphthalene-2-sulfonate CAS Name: trisodium 1-hydroperoxysulfonyl-3-(4-sulfonatophenyl)azo-2-naphthalenesulfonate IUPAC Name: trisodium 1-hydroperoxysulfonyl-3-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate Traditional Name: trisodium 1-hydroperoxysulfonyl-3-(4-sulfonatophenyl)azo-naphthalene-2-sulfonate Formula: C16H10N2Na3O10S3+ MolecularWeight: 555.42231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=C2S(=O)(=O)OO)S(=O)(=O)[O-])N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=C2S(=O)(=O)OO)S(=O)(=O)[O-])N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C16H12N2O10S3.3Na/c19-28-31(26,27)15-13-4-2-1-3-10(13)9-14(16(15)30(23,24)25)18-17-11-5-7-12(8-6-11)29(20,21)22;;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;;/q;3*+1/p-2