disodium 3-[[3-methoxy-4-[[2-methoxy-5-methyl-4-[(3-sulfonatophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]benzenesulfonate

Systemtic Name: disodium 3-[[3-methoxy-4-[[2-methoxy-5-methyl-4-[(3-sulfonatophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]benzenesulfonate Openeye Name: disodium 3-[3-methoxy-4-[[2-methoxy-5-methyl-4-(3-sulfonatophenyl)azo-phenyl]carbamoylamino]phenyl]azobenzenesulfonate CAS Name: disodium 3-[3-methoxy-4-[[[2-methoxy-5-methyl-4-(3-sulfonatophenyl)azoanilino]-oxomethyl]amino]phenyl]azobenzenesulfonate IUPAC Name: disodium 3-[[3-methoxy-4-[[2-methoxy-5-methyl-4-[(3-sulfonatophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]benzenesulfonate Traditional Name: disodium 3-[3-methoxy-4-[[2-methoxy-5-methyl-4-(3-sulfonatophenyl)azo-phenyl]carbamoylamino]phenyl]azobesylate Formula: C28H24N6Na2O9S2 MolecularWeight: 698.6345

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=CC(=CC=C2)S(=O)(=O)[O-])OC)NC(=O)NC3=C(C=C(C=C3)N=NC4=CC(=CC=C4)S(=O)(=O)[O-])OC.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=CC(=CC=C2)S(=O)(=O)[O-])OC)NC(=O)NC3=C(C=C(C=C3)N=NC4=CC(=CC=C4)S(=O)(=O)[O-])OC.[Na+].[Na+]

InChI

InChI=1S/C28H26N6O9S2.2Na/c1-17-12-25(27(43-3)16-24(17)34-33-19-7-5-9-22(14-19)45(39,40)41)30-28(35)29-23-11-10-20(15-26(23)42-2)32-31-18-6-4-8-21(13-18)44(36,37)38;;/h4-16H,1-3H3,(H2,29,30,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2