trisodium 7-[[4-(sulfonatomethylamino)phenyl]diazenyl]naphthalene-1,3-disulfonate

Systemtic Name: trisodium 7-[[4-(sulfonatomethylamino)phenyl]diazenyl]naphthalene-1,3-disulfonate Openeye Name: trisodium 7-[4-(sulfonatomethylamino)phenyl]azonaphthalene-1,3-disulfonate CAS Name: trisodium 7-[4-(sulfonatomethylamino)phenyl]azonaphthalene-1,3-disulfonate IUPAC Name: trisodium 7-[[4-(sulfonatomethylamino)phenyl]diazenyl]naphthalene-1,3-disulfonate Traditional Name: trisodium 7-[4-(sulfonatomethylamino)phenyl]azonaphthalene-1,3-disulfonate Formula: C17H12N3Na3O9S3 MolecularWeight: 567.45619

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCS(=O)(=O)[O-])N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1NCS(=O)(=O)[O-])N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C17H15N3O9S3.3Na/c21-30(22,23)10-18-12-3-5-13(6-4-12)19-20-14-2-1-11-7-15(31(24,25)26)9-17(16(11)8-14)32(27,28)29;;;/h1-9,18H,10H2,(H,21,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3