trisodium 2-[(4-azanyl-6-sulfonato-naphthalen-1-yl)diazenyl]benzene-1,4-disulfonate

Systemtic Name: trisodium 2-[(4-azanyl-6-sulfonato-naphthalen-1-yl)diazenyl]benzene-1,4-disulfonate Openeye Name: trisodium 2-[(4-amino-6-sulfonato-1-naphthyl)azo]benzene-1,4-disulfonate CAS Name: trisodium 2-[(4-amino-6-sulfonato-1-naphthalenyl)azo]benzene-1,4-disulfonate IUPAC Name: trisodium 2-[(4-amino-6-sulfonatonaphthalen-1-yl)diazenyl]benzene-1,4-disulfonate Traditional Name: trisodium 2-[(4-amino-6-sulfonato-1-naphthyl)azo]benzene-1,4-disulfonate Formula: C16H10N3Na3O9S3 MolecularWeight: 553.42961

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2C=C1S(=O)(=O)[O-])N)N=NC3=C(C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=CC(=C2C=C1S(=O)(=O)[O-])N)N=NC3=C(C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C16H13N3O9S3.3Na/c17-13-4-5-14(11-3-1-9(7-12(11)13)29(20,21)22)18-19-15-8-10(30(23,24)25)2-6-16(15)31(26,27)28;;;/h1-8H,17H2,(H,20,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3