disodium 4-[[3-methoxy-4-[[2-methoxy-4-[(4-sulfonatophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]benzenesulfonate

Systemtic Name: disodium 4-[[3-methoxy-4-[[2-methoxy-4-[(4-sulfonatophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]benzenesulfonate Openeye Name: disodium 4-[3-methoxy-4-[[2-methoxy-4-(4-sulfonatophenyl)azo-phenyl]carbamoylamino]phenyl]azobenzenesulfonate CAS Name: disodium 4-[3-methoxy-4-[[[2-methoxy-4-(4-sulfonatophenyl)azoanilino]-oxomethyl]amino]phenyl]azobenzenesulfonate IUPAC Name: disodium 4-[[3-methoxy-4-[[2-methoxy-4-[(4-sulfonatophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]benzenesulfonate Traditional Name: disodium 4-[3-methoxy-4-[[2-methoxy-4-(4-sulfonatophenyl)azo-phenyl]carbamoylamino]phenyl]azobesylate Formula: C27H22N6Na2O9S2 MolecularWeight: 684.60792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-])NC(=O)NC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)[O-])OC.[Na+].[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-])NC(=O)NC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)[O-])OC.[Na+].[Na+]

InChI

InChI=1S/C27H24N6O9S2.2Na/c1-41-25-15-19(32-30-17-3-9-21(10-4-17)43(35,36)37)7-13-23(25)28-27(34)29-24-14-8-20(16-26(24)42-2)33-31-18-5-11-22(12-6-18)44(38,39)40;;/h3-16H,1-2H3,(H2,28,29,34)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2