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

Systemtic Name: 2-[(E)-2-[4-[[4-(3-oxidanylpropylamino)-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]-5-[[4-(3-oxidanylpropylamino)-6-[2-(trioxidanylsulfanyl)ethylamino]-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Openeye Name: 2-[(E)-2-[4-[[4-(3-hydroxypropylamino)-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]-5-[[4-(3-hydroxypropylamino)-6-[2-(trioxidanylsulfanyl)ethylamino]-1,3,5-triazin-2-yl]amino]benzenesulfonic acid CAS Name: 2-[(E)-2-[4-[[4-(3-hydroxypropylamino)-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-5-[[4-(3-hydroxypropylamino)-6-[2-(trioxidanylthio)ethylamino]-1,3,5-triazin-2-yl]amino]benzenesulfonic acid IUPAC Name: 2-[(E)-2-[4-[[4-(3-hydroxypropylamino)-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-5-[[4-(3-hydroxypropylamino)-6-[2-(trioxidanylsulfanyl)ethylamino]-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Traditional Name: 2-[(E)-2-[4-[[4-(3-hydroxypropylamino)-6-(2-sulfoethylamino)-s-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]-5-[[4-(3-hydroxypropylamino)-6-[2-(trioxidanylthio)ethylamino]-s-triazin-2-yl]amino]besylic acid Formula: C30H40N12O14S4 MolecularWeight: 920.9706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC(=NC(=N2)NCCSOOO)NCCCO)S(=O)(=O)O)C=CC3=C(C=C(C=C3)NC4=NC(=NC(=N4)NCCS(=O)(=O)O)NCCCO)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC(=NC(=N2)NCCSOOO)NCCCO)S(=O)(=O)O)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NCCS(=O)(=O)O)NCCCO)S(=O)(=O)O

InChI

InChI=1S/C30H40N12O14S4/c43-13-1-9-31-25-37-27(33-11-15-57-56-55-45)41-29(39-25)35-21-7-5-19(23(17-21)59(49,50)51)3-4-20-6-8-22(18-24(20)60(52,53)54)36-30-40-26(32-10-2-14-44)38-28(42-30)34-12-16-58(46,47)48/h3-8,17-18,43-45H,1-2,9-16H2,(H,46,47,48)(H,49,50,51)(H,52,53,54)(H3,31,33,35,37,39,41)(H3,32,34,36,38,40,42)/b4-3+