2-[[2-[[4-[(E)-2-[4-[[1-[(2-sulfophenyl)amino]-1,3,5-triazin-1-ium-2-yl]amino]phenyl]ethenyl]phenyl]amino]-1,3,5-triazin-1-ium-1-yl]amino]benzenesulfonic acid

Systemtic Name: 2-[[2-[[4-[(E)-2-[4-[[1-[(2-sulfophenyl)amino]-1,3,5-triazin-1-ium-2-yl]amino]phenyl]ethenyl]phenyl]amino]-1,3,5-triazin-1-ium-1-yl]amino]benzenesulfonic acid Openeye Name: 2-[[2-[4-[(E)-2-[4-[[1-(2-sulfoanilino)-1,3,5-triazin-1-ium-2-yl]amino]phenyl]vinyl]anilino]-1,3,5-triazin-1-ium-1-yl]amino]benzenesulfonic acid CAS Name: 2-[[2-[4-[(E)-2-[4-[[1-(2-sulfoanilino)-1,3,5-triazin-1-ium-2-yl]amino]phenyl]ethenyl]anilino]-1,3,5-triazin-1-ium-1-yl]amino]benzenesulfonic acid IUPAC Name: 2-[[2-[4-[(E)-2-[4-[[1-(2-sulfoanilino)-1,3,5-triazin-1-ium-2-yl]amino]phenyl]ethenyl]anilino]-1,3,5-triazin-1-ium-1-yl]amino]benzenesulfonic acid Traditional Name: 2-[[2-[4-[(E)-2-[4-[[1-(2-sulfoanilino)-s-triazin-1-ium-2-yl]amino]phenyl]vinyl]anilino]-s-triazin-1-ium-1-yl]amino]besylic acid Formula: C32H28N10O6S2+2 MolecularWeight: 712.75812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N[N+]2=CN=CN=C2NC3=CC=C(C=C3)C=CC4=CC=C(C=C4)NC5=NC=NC=[N+]5NC6=CC=CC=C6S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)N[N+]2=CN=CN=C2NC3=CC=C(C=C3)/C=C/C4=CC=C(C=C4)NC5=NC=NC=[N+]5NC6=CC=CC=C6S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C32H26N10O6S2/c43-49(44,45)29-7-3-1-5-27(29)39-41-21-33-19-35-31(41)37-25-15-11-23(12-16-25)9-10-24-13-17-26(18-14-24)38-32-36-20-34-22-42(32)40-28-6-2-4-8-30(28)50(46,47)48/h1-22,39-40H,(H2,43,44,45,46,47,48)/p+2/b10-9+