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

Systemtic Name: 5-[[4-[2,3-bis(oxidanyl)propyl-[2-(2-hydroxyethyloxy)ethyl]amino]-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2,3-bis(oxidanyl)propyl-[2-(2-hydroxyethyloxy)ethyl]amino]-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid Openeye Name: 5-[[4-[2,3-dihydroxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2,3-dihydroxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]benzenesulfonic acid CAS Name: 5-[[4-[2,3-dihydroxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2,3-dihydroxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid IUPAC Name: 5-[[4-[2,3-dihydroxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2,3-dihydroxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]-6-(2-sulfoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid Traditional Name: 5-[[4-[glyceryl-[2-(2-hydroxyethoxy)ethyl]amino]-6-(2-sulfoethylamino)-s-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[glyceryl-[2-(2-hydroxyethoxy)ethyl]amino]-6-(2-sulfoethylamino)-s-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]besylic acid Formula: C38H56N12O20S4 MolecularWeight: 1129.17964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC(=NC(=N2)N(CCOCCO)CC(CO)O)NCCS(=O)(=O)O)S(=O)(=O)O)C=CC3=C(C=C(C=C3)NC4=NC(=NC(=N4)N(CCOCCO)CC(CO)O)NCCS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC(=NC(=N2)N(CCOCCO)CC(CO)O)NCCS(=O)(=O)O)S(=O)(=O)O)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)N(CCOCCO)CC(CO)O)NCCS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C38H56N12O20S4/c51-11-15-69-13-9-49(21-29(55)23-53)37-45-33(39-7-17-71(57,58)59)43-35(47-37)41-27-5-3-25(31(19-27)73(63,64)65)1-2-26-4-6-28(20-32(26)74(66,67)68)42-36-44-34(40-8-18-72(60,61)62)46-38(48-36)50(22-30(56)24-54)10-14-70-16-12-52/h1-6,19-20,29-30,51-56H,7-18,21-24H2,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H2,39,41,43,45,47)(H2,40,42,44,46,48)/b2-1+