tetrasodium 3-azanyl-4-[[4-[4-[(2-azanyl-3,6-disulfonato-naphthalen-1-yl)diazenyl]-3-chloranyl-phenyl]-2-chloranyl-phenyl]diazenyl]naphthalene-2,7-disulfonate

Systemtic Name: tetrasodium 3-azanyl-4-[[4-[4-[(2-azanyl-3,6-disulfonato-naphthalen-1-yl)diazenyl]-3-chloranyl-phenyl]-2-chloranyl-phenyl]diazenyl]naphthalene-2,7-disulfonate Openeye Name: tetrasodium 3-amino-4-[4-[4-[(2-amino-3,6-disulfonato-1-naphthyl)azo]-3-chloro-phenyl]-2-chloro-phenyl]azo-naphthalene-2,7-disulfonate CAS Name: tetrasodium 3-amino-4-[4-[4-[(2-amino-3,6-disulfonato-1-naphthalenyl)azo]-3-chlorophenyl]-2-chlorophenyl]azonaphthalene-2,7-disulfonate IUPAC Name: tetrasodium 3-amino-4-[[4-[4-[(2-amino-3,6-disulfonatonaphthalen-1-yl)diazenyl]-3-chlorophenyl]-2-chlorophenyl]diazenyl]naphthalene-2,7-disulfonate Traditional Name: tetrasodium 3-amino-4-[4-[4-[(2-amino-3,6-disulfonato-1-naphthyl)azo]-3-chloro-phenyl]-2-chloro-phenyl]azo-naphthalene-2,7-disulfonate Formula: C32H18Cl2N6Na4O12S4 MolecularWeight: 969.6434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC(=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3N)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl)Cl)N=NC5=C6C=CC(=CC6=CC(=C5N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1C2=CC(=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3N)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl)Cl)N=NC5=C6C=CC(=CC6=CC(=C5N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C32H22Cl2N6O12S4.4Na/c33-23-11-15(1-7-25(23)37-39-31-21-5-3-19(53(41,42)43)9-17(21)13-27(29(31)35)55(47,48)49)16-2-8-26(24(34)12-16)38-40-32-22-6-4-20(54(44,45)46)10-18(22)14-28(30(32)36)56(50,51)52;;;;/h1-14H,35-36H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;/q;4*+1/p-4