hexasodium 3-[[4,8-disulfonato-6-(6-sulfonatobenzo[e]benzotriazol-2-yl)naphthalen-2-yl]diazenyl]-7-(6-sulfonatobenzo[e]benzotriazol-2-yl)naphthalene-1,5-disulfonate

Systemtic Name: hexasodium 3-[[4,8-disulfonato-6-(6-sulfonatobenzo[e]benzotriazol-2-yl)naphthalen-2-yl]diazenyl]-7-(6-sulfonatobenzo[e]benzotriazol-2-yl)naphthalene-1,5-disulfonate Openeye Name: hexasodium 3-[[4,8-disulfonato-6-(6-sulfonatobenzo[e]benzotriazol-2-yl)-2-naphthyl]azo]-7-(6-sulfonatobenzo[e]benzotriazol-2-yl)naphthalene-1,5-disulfonate CAS Name: hexasodium 3-[[4,8-disulfonato-6-(6-sulfonato-2-benzo[e]benzotriazolyl)-2-naphthalenyl]azo]-7-(6-sulfonato-2-benzo[e]benzotriazolyl)naphthalene-1,5-disulfonate IUPAC Name: hexasodium 3-[[4,8-disulfonato-6-(6-sulfonatobenzo[e]benzotriazol-2-yl)naphthalen-2-yl]diazenyl]-7-(6-sulfonatobenzo[e]benzotriazol-2-yl)naphthalene-1,5-disulfonate Traditional Name: hexasodium 3-[[4,8-disulfonato-6-(6-sulfonatobenzo[e]benzotriazol-2-yl)-2-naphthyl]azo]-7-(6-sulfonatobenzo[e]benzotriazol-2-yl)naphthalene-1,5-disulfonate Formula: C40H18N8Na6O18S6 MolecularWeight: 1228.94234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC3=NN(N=C23)C4=CC5=C(C=C(C=C5C(=C4)S(=O)(=O)[O-])N=NC6=CC(=C7C=C(C=C(C7=C6)S(=O)(=O)[O-])N8N=C9C=CC2=C(C9=N8)C=CC=C2S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=CC3=NN(N=C23)C4=CC5=C(C=C(C=C5C(=C4)S(=O)(=O)[O-])N=NC6=CC(=C7C=C(C=C(C7=C6)S(=O)(=O)[O-])N8N=C9C=CC2=C(C9=N8)C=CC=C2S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C40H24N8O18S6.6Na/c49-67(50,51)33-5-1-3-25-23(33)7-9-31-39(25)45-47(43-31)21-15-29-27(37(17-21)71(61,62)63)11-19(13-35(29)69(55,56)57)41-42-20-12-28-30(36(14-20)70(58,59)60)16-22(18-38(28)72(64,65)66)48-44-32-10-8-24-26(40(32)46-48)4-2-6-34(24)68(52,53)54;;;;;;/h1-18H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66);;;;;;/q;6*+1/p-6