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

Systemtic Name: disodium 3-[[5-methoxy-4-[[2-methoxy-5-methyl-4-[(3-sulfonatophenyl)diazenyl]phenyl]carbamoylamino]-2-methyl-phenyl]diazenyl]benzenesulfonate Openeye Name: disodium 3-[5-methoxy-4-[[2-methoxy-5-methyl-4-(3-sulfonatophenyl)azo-phenyl]carbamoylamino]-2-methyl-phenyl]azobenzenesulfonate CAS Name: disodium 3-[5-methoxy-4-[[[2-methoxy-5-methyl-4-(3-sulfonatophenyl)azoanilino]-oxomethyl]amino]-2-methylphenyl]azobenzenesulfonate IUPAC Name: disodium 3-[[5-methoxy-4-[[2-methoxy-5-methyl-4-[(3-sulfonatophenyl)diazenyl]phenyl]carbamoylamino]-2-methylphenyl]diazenyl]benzenesulfonate Traditional Name: disodium 3-[5-methoxy-4-[[2-methoxy-5-methyl-4-(3-sulfonatophenyl)azo-phenyl]carbamoylamino]-2-methyl-phenyl]azobesylate Formula: C29H26N6Na2O9S2 MolecularWeight: 712.66108

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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)C)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)C)N=NC4=CC(=CC=C4)S(=O)(=O)[O-])OC.[Na+].[Na+]

InChI

InChI=1S/C29H28N6O9S2.2Na/c1-17-11-25(27(43-3)15-23(17)34-32-19-7-5-9-21(13-19)45(37,38)39)30-29(36)31-26-12-18(2)24(16-28(26)44-4)35-33-20-8-6-10-22(14-20)46(40,41)42;;/h5-16H,1-4H3,(H2,30,31,36)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2