[3,4,5-triacetyloxy-6-[(12-chloranyl-12-oxidanylidene-dodecanoyl)amino]hexyl] 2-acetyloxyethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-[(12-chloranyl-12-oxidanylidene-dodecanoyl)amino]hexyl] 2-acetyloxyethanoate Openeye Name: [3,4,5-triacetoxy-6-[(12-chloro-12-oxo-dodecanoyl)amino]hexyl] 2-acetoxyacetate CAS Name: 2-acetyloxyacetic acid [3,4,5-triacetyloxy-6-[(12-chloro-1,12-dioxododecyl)amino]hexyl] ester IUPAC Name: [3,4,5-triacetyloxy-6-[(12-chloro-12-oxododecanoyl)amino]hexyl] 2-acetyloxyacetate Traditional Name: 2-acetoxyacetic acid [3,4,5-triacetoxy-6-[(12-chloro-12-keto-dodecanoyl)amino]hexyl] ester Formula: C28H44ClNO12 MolecularWeight: 622.10146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H44ClNO12/c1-19(31)39-18-27(37)38-16-15-23(40-20(2)32)28(42-22(4)34)24(41-21(3)33)17-30-26(36)14-12-10-8-6-5-7-9-11-13-25(29)35/h23-24,28H,5-18H2,1-4H3,(H,30,36)