disodium 5-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate

Systemtic Name: disodium 5-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate Openeye Name: disodium 5-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate CAS Name: disodium 5-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate IUPAC Name: disodium 5-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate Traditional Name: disodium 5-[(4-amino-6-anilino-s-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-amino-6-anilino-s-triazin-2-yl)amino]-2-sulfonato-phenyl]vinyl]besylate Formula: C32H26N12Na2O6S2 MolecularWeight: 784.73518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C32H28N12O6S2.2Na/c33-27-39-29(35-21-7-3-1-4-8-21)43-31(41-27)37-23-15-13-19(25(17-23)51(45,46)47)11-12-20-14-16-24(18-26(20)52(48,49)50)38-32-42-28(34)40-30(44-32)36-22-9-5-2-6-10-22;;/h1-18H,(H,45,46,47)(H,48,49,50)(H4,33,35,37,39,41,43)(H4,34,36,38,40,42,44);;/q;2*+1/p-2/b12-11+;;