disodium 2,4-bis(azanyl)-3-[[4-[4-[[2,6-bis(azanyl)-3-methyl-5-sulfonato-phenyl]diazenyl]-2-methyl-phenyl]-3-methyl-phenyl]diazenyl]-5-methyl-benzenesulfonate

Systemtic Name: disodium 2,4-bis(azanyl)-3-[[4-[4-[[2,6-bis(azanyl)-3-methyl-5-sulfonato-phenyl]diazenyl]-2-methyl-phenyl]-3-methyl-phenyl]diazenyl]-5-methyl-benzenesulfonate Openeye Name: disodium 2,4-diamino-3-[4-[4-(2,6-diamino-3-methyl-5-sulfonato-phenyl)azo-2-methyl-phenyl]-3-methyl-phenyl]azo-5-methyl-benzenesulfonate CAS Name: disodium 2,4-diamino-3-[4-[4-(2,6-diamino-3-methyl-5-sulfonatophenyl)azo-2-methylphenyl]-3-methylphenyl]azo-5-methylbenzenesulfonate IUPAC Name: disodium 2,4-diamino-3-[[4-[4-[(2,6-diamino-3-methyl-5-sulfonatophenyl)diazenyl]-2-methylphenyl]-3-methylphenyl]diazenyl]-5-methylbenzenesulfonate Traditional Name: disodium 2,4-diamino-3-[4-[4-(2,6-diamino-3-methyl-5-sulfonato-phenyl)azo-2-methyl-phenyl]-3-methyl-phenyl]azo-5-methyl-besylate Formula: C28H28N8Na2O6S2 MolecularWeight: 682.68146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1N)N=NC2=CC(=C(C=C2)C3=C(C=C(C=C3)N=NC4=C(C(=CC(=C4N)S(=O)(=O)[O-])C)N)C)C)N)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1N)N=NC2=CC(=C(C=C2)C3=C(C=C(C=C3)N=NC4=C(C(=CC(=C4N)S(=O)(=O)[O-])C)N)C)C)N)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C28H30N8O6S2.2Na/c1-13-9-17(33-35-27-23(29)15(3)11-21(25(27)31)43(37,38)39)5-7-19(13)20-8-6-18(10-14(20)2)34-36-28-24(30)16(4)12-22(26(28)32)44(40,41)42;;/h5-12H,29-32H2,1-4H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2