disodium 2-chloranyl-5-[[4-[[4-[(4-chloranyl-3-sulfonato-phenyl)diazenyl]-2-ethoxy-5-methyl-phenyl]carbamoylamino]-5-ethoxy-2-methyl-phenyl]diazenyl]benzenesulfonate

Systemtic Name: disodium 2-chloranyl-5-[[4-[[4-[(4-chloranyl-3-sulfonato-phenyl)diazenyl]-2-ethoxy-5-methyl-phenyl]carbamoylamino]-5-ethoxy-2-methyl-phenyl]diazenyl]benzenesulfonate Openeye Name: disodium 2-chloro-5-[4-[[4-(4-chloro-3-sulfonato-phenyl)azo-2-ethoxy-5-methyl-phenyl]carbamoylamino]-5-ethoxy-2-methyl-phenyl]azo-benzenesulfonate CAS Name: disodium 2-chloro-5-[4-[[[4-(4-chloro-3-sulfonatophenyl)azo-2-ethoxy-5-methylanilino]-oxomethyl]amino]-5-ethoxy-2-methylphenyl]azobenzenesulfonate IUPAC Name: disodium 2-chloro-5-[[4-[[4-[(4-chloro-3-sulfonatophenyl)diazenyl]-2-ethoxy-5-methylphenyl]carbamoylamino]-5-ethoxy-2-methylphenyl]diazenyl]benzenesulfonate Traditional Name: disodium 2-chloro-5-[4-[[4-(4-chloro-3-sulfonato-phenyl)azo-2-ethoxy-5-methyl-phenyl]carbamoylamino]-5-ethoxy-2-methyl-phenyl]azo-besylate Formula: C31H28Cl2N6Na2O9S2 MolecularWeight: 809.60436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)N=NC2=CC(=C(C=C2)Cl)S(=O)(=O)[O-])C)NC(=O)NC3=C(C=C(C(=C3)C)N=NC4=CC(=C(C=C4)Cl)S(=O)(=O)[O-])OCC.[Na+].[Na+]

Isomeric SMILES

CCOC1=C(C=C(C(=C1)N=NC2=CC(=C(C=C2)Cl)S(=O)(=O)[O-])C)NC(=O)NC3=C(C=C(C(=C3)C)N=NC4=CC(=C(C=C4)Cl)S(=O)(=O)[O-])OCC.[Na+].[Na+]

InChI

InChI=1S/C31H30Cl2N6O9S2.2Na/c1-5-47-27-15-23(38-36-19-7-9-21(32)29(13-19)49(41,42)43)17(3)11-25(27)34-31(40)35-26-12-18(4)24(16-28(26)48-6-2)39-37-20-8-10-22(33)30(14-20)50(44,45)46;;/h7-16H,5-6H2,1-4H3,(H2,34,35,40)(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2