tetrasodium 2-[(E)-2-[4-[oxidanidyl-[4-[oxidanidyl-(4-sulfonatophenyl)imino-azaniumyl]phenyl]imino-azaniumyl]-2-sulfonato-phenyl]ethenyl]-5-[[4-[oxidanidyl-(4-sulfonatophenyl)imino-azaniumyl]phenyl]diazenyl]benzenesulfonate

Systemtic Name: tetrasodium 2-[(E)-2-[4-[oxidanidyl-[4-[oxidanidyl-(4-sulfonatophenyl)imino-azaniumyl]phenyl]imino-azaniumyl]-2-sulfonato-phenyl]ethenyl]-5-[[4-[oxidanidyl-(4-sulfonatophenyl)imino-azaniumyl]phenyl]diazenyl]benzenesulfonate Openeye Name: tetrasodium 2-[(E)-2-[4-[oxido-[4-[oxido-(4-sulfonatophenyl)imino-ammonio]phenyl]imino-ammonio]-2-sulfonato-phenyl]vinyl]-5-[4-[oxido-(4-sulfonatophenyl)imino-ammonio]phenyl]azo-benzenesulfonate CAS Name: tetrasodium 2-[(E)-2-[4-[oxido-[4-[oxido-(4-sulfonatophenyl)iminoammonio]phenyl]iminoammonio]-2-sulfonatophenyl]ethenyl]-5-[4-[oxido-(4-sulfonatophenyl)iminoammonio]phenyl]azobenzenesulfonate IUPAC Name: tetrasodium 2-[(E)-2-[4-[oxido-[4-[oxido-(4-sulfonatophenyl)iminoazaniumyl]phenyl]iminoazaniumyl]-2-sulfonatophenyl]ethenyl]-5-[[4-[oxido-(4-sulfonatophenyl)iminoazaniumyl]phenyl]diazenyl]benzenesulfonate Traditional Name: tetrasodium 2-[(E)-2-[4-[oxido-[4-[oxido-(4-sulfonatophenyl)imino-ammonio]phenyl]imino-ammonio]-2-sulfonato-phenyl]vinyl]-5-[4-[oxido-(4-sulfonatophenyl)imino-ammonio]phenyl]azo-besylate Formula: C38H24N8Na4O15S4 MolecularWeight: 1052.86084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)[N+](=NC4=CC=C(C=C4)[N+](=NC5=CC=C(C=C5)S(=O)(=O)[O-])[O-])[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[N+](=NC6=CC=C(C=C6)S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N=NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)[N+](=NC4=CC=C(C=C4)[N+](=NC5=CC=C(C=C5)S(=O)(=O)[O-])[O-])[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[N+](=NC6=CC=C(C=C6)S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C38H28N8O15S4.4Na/c47-44(41-29-10-19-35(20-11-29)62(50,51)52)32-15-6-27(7-16-32)39-40-31-5-3-25(37(23-31)64(56,57)58)1-2-26-4-14-34(24-38(26)65(59,60)61)46(49)43-28-8-17-33(18-9-28)45(48)42-30-12-21-36(22-13-30)63(53,54)55;;;;/h1-24H,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61);;;;/q;4*+1/p-4/b2-1+,40-39?,44-41?,45-42?,46-43?;;;;