5-[[4-[bis(2-hydroxyethyl)amino]-6-(2-oxidanylpropylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2-oxidanylpropylamino)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid

Systemtic Name: 5-[[4-[bis(2-hydroxyethyl)amino]-6-(2-oxidanylpropylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2-oxidanylpropylamino)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid Openeye Name: 5-[[4-[bis(2-hydroxyethyl)amino]-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]benzenesulfonic acid CAS Name: 5-[[4-[bis(2-hydroxyethyl)amino]-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid IUPAC Name: 5-[[4-[bis(2-hydroxyethyl)amino]-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid Traditional Name: 5-[[4-[bis(2-hydroxyethyl)amino]-6-(2-hydroxypropylamino)-s-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2-hydroxypropylamino)-s-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]besylic acid Formula: C34H48N12O12S2 MolecularWeight: 880.94812

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC(=NC(=N1)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=NC(=N4)N(CCO)CCO)NCC(C)O)S(=O)(=O)O)S(=O)(=O)O)N(CCO)CCO)O

Isomeric SMILES

CC(CNC1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)N(CCO)CCO)NCC(C)O)S(=O)(=O)O)S(=O)(=O)O)N(CCO)CCO)O

InChI

InChI=1S/C34H48N12O12S2/c1-21(51)19-35-29-39-31(43-33(41-29)45(9-13-47)10-14-48)37-25-7-5-23(27(17-25)59(53,54)55)3-4-24-6-8-26(18-28(24)60(56,57)58)38-32-40-30(36-20-22(2)52)42-34(44-32)46(11-15-49)12-16-50/h3-8,17-18,21-22,47-52H,9-16,19-20H2,1-2H3,(H,53,54,55)(H,56,57,58)(H2,35,37,39,41,43)(H2,36,38,40,42,44)/b4-3+