(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-sulfo-[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-sulfonic 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-sulfo-[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-sulfonic 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-sulfo-benzofuro[2,3-f][1,3]benzoxazol-1-ium-2-yl]penta-2,4-dienylidene]benzofuro[2,3-f][1,3]benzoxazole-6-sulfonic 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-sulfo-2-benzofuro[2,3-f][1,3]benzoxazol-1-iumyl]penta-2,4-dienylidene]-6-benzofuro[2,3-f][1,3]benzoxazolesulfonic 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-sulfo-[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-sulfonic acid Traditional Name: (2Z)-1-(6-keto-6-succinimidooxy-hexyl)-2-[(2E,4E)-5-[1-(6-keto-6-succinimidooxy-hexyl)-6-sulfo-benzofuro[2,3-f][1,3]benzoxazol-1-ium-2-yl]penta-2,4-dienylidene]benzofuro[2,3-f][1,3]benzoxazole-6-sulfonic acid Formula: C51H45N4O18S2+ MolecularWeight: 1066.049

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)OC(=O)CCCCCN2C3=C(C=C4C(=C3)OC5=C4C=C(C=C5)S(=O)(=O)O)OC2=CC=CC=CC6=[N+](C7=C(O6)C=C8C(=C7)OC9=C8C=C(C=C9)S(=O)(=O)O)CCCCCC(=O)ON1C(=O)CCC1=O

Isomeric SMILES

C1CC(=O)N(C1=O)OC(=O)CCCCCN\2C3=C(C=C4C(=C3)OC5=C4C=C(C=C5)S(=O)(=O)O)O/C2=C\C=C\C=C\C6=[N+](C7=C(O6)C=C8C(=C7)OC9=C8C=C(C=C9)S(=O)(=O)O)CCCCCC(=O)ON1C(=O)CCC1=O

InChI

InChI=1S/C51H44N4O18S2/c56-44-18-19-45(57)54(44)72-50(60)12-6-2-8-22-52-36-28-40-34(32-24-30(74(62,63)64)14-16-38(32)68-40)26-42(36)70-48(52)10-4-1-5-11-49-53(23-9-3-7-13-51(61)73-55-46(58)20-21-47(55)59)37-29-41-35(27-43(37)71-49)33-25-31(75(65,66)67)15-17-39(33)69-41/h1,4-5,10-11,14-17,24-29H,2-3,6-9,12-13,18-23H2,(H-,62,63,64,65,66,67)/p+1