(2Z)-1-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-6-oxidanylidene-hexyl]-2-[(2E,4E)-5-[1-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-6-oxidanylidene-hexyl]-6,8-disulfo-[1]benzofuro[2,3-f][1,3]benzoxazol-1-ium-2-yl]penta-2,4-dienylidene]-[1]benzofuro[2,3-f][1,3]benzoxazole-6,8-disulfonic acid

Systemtic Name: (2Z)-1-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-6-oxidanylidene-hexyl]-2-[(2E,4E)-5-[1-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-6-oxidanylidene-hexyl]-6,8-disulfo-[1]benzofuro[2,3-f][1,3]benzoxazol-1-ium-2-yl]penta-2,4-dienylidene]-[1]benzofuro[2,3-f][1,3]benzoxazole-6,8-disulfonic acid Openeye Name: (2Z)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxo-hexyl]-2-[(2E,4E)-5-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxo-hexyl]-6,8-disulfo-benzofuro[2,3-f][1,3]benzoxazol-1-ium-2-yl]penta-2,4-dienylidene]benzofuro[2,3-f][1,3]benzoxazole-6,8-disulfonic acid CAS Name: (2Z)-1-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-2-[(2E,4E)-5-[1-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-6,8-disulfo-2-benzofuro[2,3-f][1,3]benzoxazol-1-iumyl]penta-2,4-dienylidene]benzofuro[2,3-f][1,3]benzoxazole-6,8-disulfonic acid IUPAC Name: (2Z)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[(2E,4E)-5-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-6,8-disulfo-[1]benzofuro[2,3-f][1,3]benzoxazol-1-ium-2-yl]penta-2,4-dienylidene]-[1]benzofuro[2,3-f][1,3]benzoxazole-6,8-disulfonic acid Traditional Name: (2Z)-1-(6-keto-6-succinimidooxy-hexyl)-2-[(2E,4E)-5-[1-(6-keto-6-succinimidooxy-hexyl)-6,8-disulfo-benzofuro[2,3-f][1,3]benzoxazol-1-ium-2-yl]penta-2,4-dienylidene]benzofuro[2,3-f][1,3]benzoxazole-6,8-disulfonic acid Formula: C51H45N4O24S4+ MolecularWeight: 1226.1754

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)OC(=O)CCCCCN2C3=C(C=C4C5=CC(=CC(=C5OC4=C3)S(=O)(=O)O)S(=O)(=O)O)OC2=CC=CC=CC6=[N+](C7=C(O6)C=C8C9=CC(=CC(=C9OC8=C7)S(=O)(=O)O)S(=O)(=O)O)CCCCCC(=O)ON1C(=O)CCC1=O

Isomeric SMILES

C1CC(=O)N(C1=O)OC(=O)CCCCCN\2C3=C(C=C4C5=CC(=CC(=C5OC4=C3)S(=O)(=O)O)S(=O)(=O)O)O/C2=C\C=C\C=C\C6=[N+](C7=C(O6)C=C8C9=CC(=CC(=C9OC8=C7)S(=O)(=O)O)S(=O)(=O)O)CCCCCC(=O)ON1C(=O)CCC1=O

InChI

InChI=1S/C51H44N4O24S4/c56-42-14-15-43(57)54(42)78-48(60)12-6-2-8-18-52-34-26-36-30(32-20-28(80(62,63)64)22-40(50(32)76-36)82(68,69)70)24-38(34)74-46(52)10-4-1-5-11-47-53(19-9-3-7-13-49(61)79-55-44(58)16-17-45(55)59)35-27-37-31(25-39(35)75-47)33-21-29(81(65,66)67)23-41(51(33)77-37)83(71,72)73/h1,4-5,10-11,20-27H,2-3,6-9,12-19H2,(H3-,62,63,64,65,66,67,68,69,70,71,72,73)/p+1