tetrasodium 2-[[4-[[4-[[2,3-bis(chloranyl)quinoxalin-6-yl]carbonylamino]-5-sulfonato-naphthalen-1-yl]diazenyl]-7-sulfonato-naphthalen-1-yl]diazenyl]benzene-1,4-disulfonate

Systemtic Name: tetrasodium 2-[[4-[[4-[[2,3-bis(chloranyl)quinoxalin-6-yl]carbonylamino]-5-sulfonato-naphthalen-1-yl]diazenyl]-7-sulfonato-naphthalen-1-yl]diazenyl]benzene-1,4-disulfonate Openeye Name: tetrasodium 2-[[4-[[4-[(2,3-dichloroquinoxaline-6-carbonyl)amino]-5-sulfonato-1-naphthyl]azo]-7-sulfonato-1-naphthyl]azo]benzene-1,4-disulfonate CAS Name: tetrasodium 2-[[4-[[4-[[(2,3-dichloro-6-quinoxalinyl)-oxomethyl]amino]-5-sulfonato-1-naphthalenyl]azo]-7-sulfonato-1-naphthalenyl]azo]benzene-1,4-disulfonate IUPAC Name: tetrasodium 2-[[4-[[4-[(2,3-dichloroquinoxaline-6-carbonyl)amino]-5-sulfonatonaphthalen-1-yl]diazenyl]-7-sulfonatonaphthalen-1-yl]diazenyl]benzene-1,4-disulfonate Traditional Name: tetrasodium 2-[[4-[[4-[(2,3-dichloroquinoxaline-6-carbonyl)amino]-5-sulfonato-1-naphthyl]azo]-7-sulfonato-1-naphthyl]azo]benzene-1,4-disulfonate Formula: C35H17Cl2N7Na4O13S4 MolecularWeight: 1034.67366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)[O-])NC(=O)C3=CC4=C(C=C3)N=C(C(=N4)Cl)Cl)N=NC5=C6C=CC(=CC6=C(C=C5)N=NC7=C(C=CC(=C7)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)[O-])NC(=O)C3=CC4=C(C=C3)N=C(C(=N4)Cl)Cl)N=NC5=C6C=CC(=CC6=C(C=C5)N=NC7=C(C=CC(=C7)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C35H21Cl2N7O13S4.4Na/c36-33-34(37)39-28-14-17(4-8-26(28)38-33)35(45)40-27-12-11-24(21-2-1-3-31(32(21)27)61(55,56)57)42-41-23-9-10-25(22-15-18(58(46,47)48)5-7-20(22)23)43-44-29-16-19(59(49,50)51)6-13-30(29)60(52,53)54;;;;/h1-16H,(H,40,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);;;;/q;4*+1/p-4