[acetyloxy(ethyl)carbamoyl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-2,4,6-tris(iodanyl)benzoate

Systemtic Name: [acetyloxy(ethyl)carbamoyl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-2,4,6-tris(iodanyl)benzoate Openeye Name: [acetoxy(ethyl)carbamoyl] 3-(1,3-dioxoisoindolin-2-yl)-5-[[2-(1,3-dioxoisoindolin-2-yl)acetyl]amino]-2,4,6-triiodo-benzoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)-5-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-2,4,6-triiodobenzoic acid [[acetyloxy(ethyl)amino]-oxomethyl] ester IUPAC Name: [acetyloxy(ethyl)carbamoyl] 3-(1,3-dioxoisoindol-2-yl)-5-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-2,4,6-triiodobenzoate Traditional Name: 2,4,6-triiodo-3-phthalimido-5-[(2-phthalimidoacetyl)amino]benzoic acid [acetoxy(ethyl)carbamoyl] ester Formula: C30H19I3N4O10 MolecularWeight: 976.20607

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)OC(=O)C1=C(C(=C(C(=C1I)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O)I)N4C(=O)C5=CC=CC=C5C4=O)I)OC(=O)C

Isomeric SMILES

CCN(C(=O)OC(=O)C1=C(C(=C(C(=C1I)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O)I)N4C(=O)C5=CC=CC=C5C4=O)I)OC(=O)C

InChI

InChI=1S/C30H19I3N4O10/c1-3-36(47-13(2)38)30(45)46-29(44)19-20(31)23(34-18(39)12-35-25(40)14-8-4-5-9-15(14)26(35)41)22(33)24(21(19)32)37-27(42)16-10-6-7-11-17(16)28(37)43/h4-11H,3,12H2,1-2H3,(H,34,39)