3-[(2Z)-3-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-6-oxidanylidene-hexyl]-2-[(2E,4E)-5-[3-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-6-oxidanylidene-hexyl]-9-(3-sulfopropyl)-[1,3]oxazolo[5,4-b]carbazol-3-ium-2-yl]penta-2,4-dienylidene]-[1,3]oxazolo[5,4-b]carbazol-9-yl]propane-1-sulfonic acid

Systemtic Name: 3-[(2Z)-3-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-6-oxidanylidene-hexyl]-2-[(2E,4E)-5-[3-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-6-oxidanylidene-hexyl]-9-(3-sulfopropyl)-[1,3]oxazolo[5,4-b]carbazol-3-ium-2-yl]penta-2,4-dienylidene]-[1,3]oxazolo[5,4-b]carbazol-9-yl]propane-1-sulfonic acid Openeye Name: 3-[(2Z)-3-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxo-hexyl]-2-[(2E,4E)-5-[3-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxo-hexyl]-9-(3-sulfopropyl)oxazolo[5,4-b]carbazol-3-ium-2-yl]penta-2,4-dienylidene]oxazolo[5,4-b]carbazol-9-yl]propane-1-sulfonic acid CAS Name: 3-[(2Z)-3-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-2-[(2E,4E)-5-[3-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-9-(3-sulfopropyl)-2-oxazolo[5,4-b]carbazol-3-iumyl]penta-2,4-dienylidene]-9-oxazolo[5,4-b]carbazolyl]-1-propanesulfonic acid IUPAC Name: 3-[(2Z)-3-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[(2E,4E)-5-[3-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-9-(3-sulfopropyl)-[1,3]oxazolo[5,4-b]carbazol-3-ium-2-yl]penta-2,4-dienylidene]-[1,3]oxazolo[5,4-b]carbazol-9-yl]propane-1-sulfonic acid Traditional Name: 3-[(2Z)-3-(6-keto-6-succinimidooxy-hexyl)-2-[(2E,4E)-5-[3-(6-keto-6-succinimidooxy-hexyl)-9-(3-sulfopropyl)oxazolo[5,4-b]carbazol-3-ium-2-yl]penta-2,4-dienylidene]oxazolo[5,4-b]carbazol-9-yl]propane-1-sulfonic acid Formula: C57H59N6O16S2+ MolecularWeight: 1148.23896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)OC(=O)CCCCCN2C3=C(C=C4C(=C3)C5=CC=CC=C5N4CCCS(=O)(=O)O)OC2=CC=CC=CC6=[N+](C7=C(O6)C=C8C(=C7)C9=CC=CC=C9N8CCCS(=O)(=O)O)CCCCCC(=O)ON1C(=O)CCC1=O

Isomeric SMILES

C1CC(=O)N(C1=O)OC(=O)CCCCCN\2C3=C(C=C4C(=C3)C5=CC=CC=C5N4CCCS(=O)(=O)O)O/C2=C\C=C\C=C\C6=[N+](C7=C(O6)C=C8C(=C7)C9=CC=CC=C9N8CCCS(=O)(=O)O)CCCCCC(=O)ON1C(=O)CCC1=O

InChI

InChI=1S/C57H58N6O16S2/c64-50-24-25-51(65)62(50)78-56(68)22-6-2-12-28-60-46-34-40-38-16-8-10-18-42(38)58(30-14-32-80(70,71)72)44(40)36-48(46)76-54(60)20-4-1-5-21-55-61(29-13-3-7-23-57(69)79-63-52(66)26-27-53(63)67)47-35-41-39-17-9-11-19-43(39)59(31-15-33-81(73,74)75)45(41)37-49(47)77-55/h1,4-5,8-11,16-21,34-37H,2-3,6-7,12-15,22-33H2,(H-,70,71,72,73,74,75)/p+1