trisodium 3-(quinolin-5-yldiazenyl)-6-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate

Systemtic Name: trisodium 3-(quinolin-5-yldiazenyl)-6-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate Openeye Name: trisodium 3-(5-quinolylazo)-6-[(4-sulfonato-1-naphthyl)azo]naphthalene-2,7-disulfonate CAS Name: trisodium 3-(5-quinolinylazo)-6-[(4-sulfonato-1-naphthalenyl)azo]naphthalene-2,7-disulfonate IUPAC Name: trisodium 3-(quinolin-5-yldiazenyl)-6-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate Traditional Name: trisodium 3-(5-quinolylazo)-6-[(4-sulfonato-1-naphthyl)azo]naphthalene-2,7-disulfonate Formula: C29H16N5Na3O9S3 MolecularWeight: 743.62975

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N=NC3=C(C=C4C=C(C(=CC4=C3)N=NC5=CC=CC6=C5C=CC=N6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N=NC3=C(C=C4C=C(C(=CC4=C3)N=NC5=CC=CC6=C5C=CC=N6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C29H19N5O9S3.3Na/c35-44(36,37)27-11-10-24(19-5-1-2-6-20(19)27)32-34-26-14-17-13-25(33-31-23-9-3-8-22-21(23)7-4-12-30-22)28(45(38,39)40)15-18(17)16-29(26)46(41,42)43;;;/h1-16H,(H,35,36,37)(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3