diazanium disodium 5-[[2,5-dimethyl-4-[(4-sulfonatophenyl)diazenyl]phenyl]imino-oxidanidyl-azaniumyl]-2-[(E)-2-[4-[[2,5-dimethyl-4-[(4-sulfonatophenyl)diazenyl]phenyl]imino-oxidanidyl-azaniumyl]-2-sulfonato-phenyl]ethenyl]benzenesulfonate

Systemtic Name: diazanium disodium 5-[[2,5-dimethyl-4-[(4-sulfonatophenyl)diazenyl]phenyl]imino-oxidanidyl-azaniumyl]-2-[(E)-2-[4-[[2,5-dimethyl-4-[(4-sulfonatophenyl)diazenyl]phenyl]imino-oxidanidyl-azaniumyl]-2-sulfonato-phenyl]ethenyl]benzenesulfonate Openeye Name: diammonium disodium 5-[[2,5-dimethyl-4-(4-sulfonatophenyl)azo-phenyl]imino-oxido-ammonio]-2-[(E)-2-[4-[[2,5-dimethyl-4-(4-sulfonatophenyl)azo-phenyl]imino-oxido-ammonio]-2-sulfonato-phenyl]vinyl]benzenesulfonate CAS Name: diammonium disodium 5-[[2,5-dimethyl-4-(4-sulfonatophenyl)azophenyl]imino-oxidoammonio]-2-[(E)-2-[4-[[2,5-dimethyl-4-(4-sulfonatophenyl)azophenyl]imino-oxidoammonio]-2-sulfonatophenyl]ethenyl]benzenesulfonate IUPAC Name: diazanium disodium 5-[[2,5-dimethyl-4-[(4-sulfonatophenyl)diazenyl]phenyl]imino-oxidoazaniumyl]-2-[(E)-2-[4-[[2,5-dimethyl-4-[(4-sulfonatophenyl)diazenyl]phenyl]imino-oxidoazaniumyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate Traditional Name: diammonium disodium 5-[[2,5-dimethyl-4-(4-sulfonatophenyl)azo-phenyl]imino-oxido-ammonio]-2-[(E)-2-[4-[[2,5-dimethyl-4-(4-sulfonatophenyl)azo-phenyl]imino-oxido-ammonio]-2-sulfonato-phenyl]vinyl]besylate Formula: C42H40N10Na2O14S4 MolecularWeight: 1083.06514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=[N+](C2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)[N+](=NC4=CC(=C(C=C4C)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])C)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])C)N=NC6=CC=C(C=C6)S(=O)(=O)[O-].[NH4+].[NH4+].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N=[N+](C2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)[N+](=NC4=CC(=C(C=C4C)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])C)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])C)N=NC6=CC=C(C=C6)S(=O)(=O)[O-].[NH4+].[NH4+].[Na+].[Na+]

InChI

InChI=1S/C42H36N8O14S4.2H3N.2Na/c1-25-21-39(27(3)19-37(25)45-43-31-9-15-35(16-10-31)65(53,54)55)47-49(51)33-13-7-29(41(23-33)67(59,60)61)5-6-30-8-14-34(24-42(30)68(62,63)64)50(52)48-40-22-26(2)38(20-28(40)4)46-44-32-11-17-36(18-12-32)66(56,57)58;;;;/h5-24H,1-4H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);2*1H3;;/q;;;2*+1/p-2/b6-5+,45-43?,46-44?,49-47?,50-48?;;;;