2-[(E)-1,2-bis[[4,6-bis(phenylazanyl)-1,3,5-triazin-2-yl]amino]-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid

Systemtic Name: 2-[(E)-1,2-bis[[4,6-bis(phenylazanyl)-1,3,5-triazin-2-yl]amino]-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid Openeye Name: 2-[(E)-1,2-bis[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-2-(2-sulfophenyl)vinyl]benzenesulfonic acid CAS Name: 2-[(E)-1,2-bis[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid IUPAC Name: 2-[(E)-1,2-bis[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid Traditional Name: 2-[(E)-1,2-bis[(4,6-dianilino-s-triazin-2-yl)amino]-2-(2-sulfophenyl)vinyl]besylic acid Formula: C44H36N12O6S2 MolecularWeight: 892.96344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC(=C(C3=CC=CC=C3S(=O)(=O)O)NC4=NC(=NC(=N4)NC5=CC=CC=C5)NC6=CC=CC=C6)C7=CC=CC=C7S(=O)(=O)O)NC8=CC=CC=C8

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N/C(=C(\C3=CC=CC=C3S(=O)(=O)O)/NC4=NC(=NC(=N4)NC5=CC=CC=C5)NC6=CC=CC=C6)/C7=CC=CC=C7S(=O)(=O)O)NC8=CC=CC=C8

InChI

InChI=1S/C44H36N12O6S2/c57-63(58,59)35-27-15-13-25-33(35)37(49-43-53-39(45-29-17-5-1-6-18-29)51-40(54-43)46-30-19-7-2-8-20-30)38(34-26-14-16-28-36(34)64(60,61)62)50-44-55-41(47-31-21-9-3-10-22-31)52-42(56-44)48-32-23-11-4-12-24-32/h1-28H,(H,57,58,59)(H,60,61,62)(H3,45,46,49,51,53,54)(H3,47,48,50,52,55,56)/b38-37+