disodium 4-[[2-[[4-[4-[[1,3-bis(oxidanylidene)-1-[(4-sulfonatophenyl)amino]butan-2-yl]diazenyl]-3-chloranyl-phenyl]-2-chloranyl-phenyl]diazenyl]-3-oxidanylidene-butanoyl]amino]benzenesulfonate

Systemtic Name: disodium 4-[[2-[[4-[4-[[1,3-bis(oxidanylidene)-1-[(4-sulfonatophenyl)amino]butan-2-yl]diazenyl]-3-chloranyl-phenyl]-2-chloranyl-phenyl]diazenyl]-3-oxidanylidene-butanoyl]amino]benzenesulfonate Openeye Name: disodium 4-[[2-[2-chloro-4-[3-chloro-4-[2-oxo-1-[(4-sulfonatophenyl)carbamoyl]propyl]azo-phenyl]phenyl]azo-3-oxo-butanoyl]amino]benzenesulfonate CAS Name: disodium 4-[[2-[2-chloro-4-[3-chloro-4-[1,3-dioxo-1-(4-sulfonatoanilino)butan-2-yl]azophenyl]phenyl]azo-1,3-dioxobutyl]amino]benzenesulfonate IUPAC Name: disodium 4-[[2-[[2-chloro-4-[3-chloro-4-[[1,3-dioxo-1-(4-sulfonatoanilino)butan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-3-oxobutanoyl]amino]benzenesulfonate Traditional Name: disodium 4-[[2-[2-chloro-4-[3-chloro-4-[2-keto-1-[(4-sulfonatophenyl)carbamoyl]propyl]azo-phenyl]phenyl]azo-3-keto-butanoyl]amino]besylate Formula: C32H24Cl2N6Na2O10S2 MolecularWeight: 833.5827

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)NC1=CC=C(C=C1)S(=O)(=O)[O-])N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=C(C=C4)S(=O)(=O)[O-])Cl)Cl.[Na+].[Na+]

Isomeric SMILES

CC(=O)C(C(=O)NC1=CC=C(C=C1)S(=O)(=O)[O-])N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=C(C=C4)S(=O)(=O)[O-])Cl)Cl.[Na+].[Na+]

InChI

InChI=1S/C32H26Cl2N6O10S2.2Na/c1-17(41)29(31(43)35-21-5-9-23(10-6-21)51(45,46)47)39-37-27-13-3-19(15-25(27)33)20-4-14-28(26(34)16-20)38-40-30(18(2)42)32(44)36-22-7-11-24(12-8-22)52(48,49)50;;/h3-16,29-30H,1-2H3,(H,35,43)(H,36,44)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2