(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]-4,6,8-trisulfo-[1]benzofuro[2,3-f][1,3]benzoxazol-1-ium-2-yl]penta-2,4-dienylidene]-[1]benzofuro[2,3-f][1,3]benzoxazole-4,6,8-trisulfonic 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]-4,6,8-trisulfo-[1]benzofuro[2,3-f][1,3]benzoxazol-1-ium-2-yl]penta-2,4-dienylidene]-[1]benzofuro[2,3-f][1,3]benzoxazole-4,6,8-trisulfonic 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]-4,6,8-trisulfo-benzofuro[2,3-f][1,3]benzoxazol-1-ium-2-yl]penta-2,4-dienylidene]benzofuro[2,3-f][1,3]benzoxazole-4,6,8-trisulfonic 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]-4,6,8-trisulfo-2-benzofuro[2,3-f][1,3]benzoxazol-1-iumyl]penta-2,4-dienylidene]benzofuro[2,3-f][1,3]benzoxazole-4,6,8-trisulfonic 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]-4,6,8-trisulfo-[1]benzofuro[2,3-f][1,3]benzoxazol-1-ium-2-yl]penta-2,4-dienylidene]-[1]benzofuro[2,3-f][1,3]benzoxazole-4,6,8-trisulfonic acid Traditional Name: (2Z)-1-(6-keto-6-succinimidooxy-hexyl)-2-[(2E,4E)-5-[1-(6-keto-6-succinimidooxy-hexyl)-4,6,8-trisulfo-benzofuro[2,3-f][1,3]benzoxazol-1-ium-2-yl]penta-2,4-dienylidene]benzofuro[2,3-f][1,3]benzoxazole-4,6,8-trisulfonic acid Formula: C51H45N4O30S6+ MolecularWeight: 1386.3018

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)OC(=O)CCCCCN2C3=CC4=C(C5=CC(=CC(=C5O4)S(=O)(=O)O)S(=O)(=O)O)C(=C3OC2=CC=CC=CC6=[N+](C7=CC8=C(C9=CC(=CC(=C9O8)S(=O)(=O)O)S(=O)(=O)O)C(=C7O6)S(=O)(=O)O)CCCCCC(=O)ON1C(=O)CCC1=O)S(=O)(=O)O

Isomeric SMILES

C1CC(=O)N(C1=O)OC(=O)CCCCCN\2C3=CC4=C(C5=CC(=CC(=C5O4)S(=O)(=O)O)S(=O)(=O)O)C(=C3O/C2=C\C=C\C=C\C6=[N+](C7=CC8=C(C9=CC(=CC(=C9O8)S(=O)(=O)O)S(=O)(=O)O)C(=C7O6)S(=O)(=O)O)CCCCCC(=O)ON1C(=O)CCC1=O)S(=O)(=O)O

InChI

InChI=1S/C51H44N4O30S6/c56-36-14-15-37(57)54(36)84-42(60)12-6-2-8-18-52-30-24-32-44(28-20-26(86(62,63)64)22-34(46(28)80-32)88(68,69)70)50(90(74,75)76)48(30)82-40(52)10-4-1-5-11-41-53(19-9-3-7-13-43(61)85-55-38(58)16-17-39(55)59)31-25-33-45(51(49(31)83-41)91(77,78)79)29-21-27(87(65,66)67)23-35(47(29)81-33)89(71,72)73/h1,4-5,10-11,20-25H,2-3,6-9,12-19H2,(H5-,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79)/p+1