5-[[4-[2,3-bis(oxidanyl)propylamino]-6-[2-(2-hydroxyethyloxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2,3-bis(oxidanyl)propylamino]-6-[2-(2-hydroxyethyloxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid

Systemtic Name: 5-[[4-[2,3-bis(oxidanyl)propylamino]-6-[2-(2-hydroxyethyloxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2,3-bis(oxidanyl)propylamino]-6-[2-(2-hydroxyethyloxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid Openeye Name: 5-[[4-(2,3-dihydroxypropylamino)-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2,3-dihydroxypropylamino)-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]benzenesulfonic acid CAS Name: 5-[[4-(2,3-dihydroxypropylamino)-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2,3-dihydroxypropylamino)-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid IUPAC Name: 5-[[4-(2,3-dihydroxypropylamino)-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2,3-dihydroxypropylamino)-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid Traditional Name: 5-[[4-(glycerylamino)-6-[2-(2-hydroxyethoxy)ethylamino]-s-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(glycerylamino)-6-[2-(2-hydroxyethoxy)ethylamino]-s-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]besylic acid Formula: C34H48N12O14S2 MolecularWeight: 912.94692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC(=NC(=N2)NCC(CO)O)NCCOCCO)S(=O)(=O)O)C=CC3=C(C=C(C=C3)NC4=NC(=NC(=N4)NCC(CO)O)NCCOCCO)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC(=NC(=N2)NCC(CO)O)NCCOCCO)S(=O)(=O)O)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NCC(CO)O)NCCOCCO)S(=O)(=O)O

InChI

InChI=1S/C34H48N12O14S2/c47-9-13-59-11-7-35-29-41-31(37-17-25(51)19-49)45-33(43-29)39-23-5-3-21(27(15-23)61(53,54)55)1-2-22-4-6-24(16-28(22)62(56,57)58)40-34-44-30(36-8-12-60-14-10-48)42-32(46-34)38-18-26(52)20-50/h1-6,15-16,25-26,47-52H,7-14,17-20H2,(H,53,54,55)(H,56,57,58)(H3,35,37,39,41,43,45)(H3,36,38,40,42,44,46)/b2-1+