12-oxidanylidene-12-(2,3,4,5,6-pentaacetyloxyhexylamino)dodecanoic acid

Systemtic Name: 12-oxidanylidene-12-(2,3,4,5,6-pentaacetyloxyhexylamino)dodecanoic acid Openeye Name: 12-oxo-12-(2,3,4,5,6-pentaacetoxyhexylamino)dodecanoic acid CAS Name: 12-oxo-12-(2,3,4,5,6-pentaacetyloxyhexylamino)dodecanoic acid IUPAC Name: 12-oxo-12-(2,3,4,5,6-pentaacetyloxyhexylamino)dodecanoic acid Traditional Name: 12-keto-12-(2,3,4,5,6-pentaacetoxyhexylamino)lauric acid Formula: C28H45NO13 MolecularWeight: 603.6558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(C(C(CNC(=O)CCCCCCCCCCC(=O)O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC(C(C(C(CNC(=O)CCCCCCCCCCC(=O)O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C28H45NO13/c1-18(30)38-17-24(40-20(3)32)28(42-22(5)34)27(41-21(4)33)23(39-19(2)31)16-29-25(35)14-12-10-8-6-7-9-11-13-15-26(36)37/h23-24,27-28H,6-17H2,1-5H3,(H,29,35)(H,36,37)