[2-acetyloxy-3-[1,2-bis(2,3-diacetyloxypropyl)-1,4,7-triazonan-2-yl]propyl] ethanoate

Systemtic Name: [2-acetyloxy-3-[1,2-bis(2,3-diacetyloxypropyl)-1,4,7-triazonan-2-yl]propyl] ethanoate Openeye Name: [2-acetoxy-3-[1,2-bis(2,3-diacetoxypropyl)-1,4,7-triazonan-2-yl]propyl] acetate CAS Name: acetic acid [2-acetyloxy-3-[1,2-bis(2,3-diacetyloxypropyl)-1,4,7-triazonan-2-yl]propyl] ester IUPAC Name: [2-acetyloxy-3-[1,2-bis(2,3-diacetyloxypropyl)-1,4,7-triazonan-2-yl]propyl] acetate Traditional Name: acetic acid [2-acetoxy-3-[1,2-bis(2,3-diacetoxypropyl)-1,4,7-triazonan-2-yl]propyl] ester Formula: C27H45N3O12 MolecularWeight: 603.6591

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CC1(CNCCNCCN1CC(COC(=O)C)OC(=O)C)CC(COC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC(CC1(CNCCNCCN1CC(COC(=O)C)OC(=O)C)CC(COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C27H45N3O12/c1-18(31)37-14-24(40-21(4)34)11-27(12-25(41-22(5)35)15-38-19(2)32)17-29-8-7-28-9-10-30(27)13-26(42-23(6)36)16-39-20(3)33/h24-26,28-29H,7-17H2,1-6H3