tetrasodium 6-azanyl-5-[[4-[(E)-2-(4-nitro-2-sulfonato-phenyl)ethenyl]-3-sulfonato-phenyl]diazenyl]naphthalene-1,3-disulfonate

Systemtic Name: tetrasodium 6-azanyl-5-[[4-[(E)-2-(4-nitro-2-sulfonato-phenyl)ethenyl]-3-sulfonato-phenyl]diazenyl]naphthalene-1,3-disulfonate Openeye Name: tetrasodium 6-amino-5-[4-[(E)-2-(4-nitro-2-sulfonato-phenyl)vinyl]-3-sulfonato-phenyl]azo-naphthalene-1,3-disulfonate CAS Name: tetrasodium 6-amino-5-[4-[(E)-2-(4-nitro-2-sulfonatophenyl)ethenyl]-3-sulfonatophenyl]azonaphthalene-1,3-disulfonate IUPAC Name: tetrasodium 6-amino-5-[[4-[(E)-2-(4-nitro-2-sulfonatophenyl)ethenyl]-3-sulfonatophenyl]diazenyl]naphthalene-1,3-disulfonate Traditional Name: tetrasodium 6-amino-5-[4-[(E)-2-(4-nitro-2-sulfonato-phenyl)vinyl]-3-sulfonato-phenyl]azo-naphthalene-1,3-disulfonate Formula: C24H14N4Na4O14S4 MolecularWeight: 802.60544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=NC2=C(C=CC3=C(C=C(C=C32)S(=O)(=O)[O-])S(=O)(=O)[O-])N)S(=O)(=O)[O-])C=CC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1N=NC2=C(C=CC3=C(C=C(C=C32)S(=O)(=O)[O-])S(=O)(=O)[O-])N)S(=O)(=O)[O-])/C=C/C4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C24H18N4O14S4.4Na/c25-20-8-7-18-19(11-17(43(31,32)33)12-23(18)46(40,41)42)24(20)27-26-15-5-3-13(21(9-15)44(34,35)36)1-2-14-4-6-16(28(29)30)10-22(14)45(37,38)39;;;;/h1-12H,25H2,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42);;;;/q;4*+1/p-4/b2-1+,27-26?;;;;