[2,2-bis(chloromethyl)-3-hexanoyloxy-propyl] hexanoate; dodecanoic acid

Systemtic Name: [2,2-bis(chloromethyl)-3-hexanoyloxy-propyl] hexanoate; dodecanoic acid Openeye Name: [2,2-bis(chloromethyl)-3-hexanoyloxy-propyl] hexanoate; dodecanoic acid CAS Name: dodecanoic acid; hexanoic acid [2,2-bis(chloromethyl)-3-(1-oxohexoxy)propyl] ester IUPAC Name: [2,2-bis(chloromethyl)-3-hexanoyloxypropyl] hexanoate; dodecanoic acid Traditional Name: hexanoic acid [2-(caproyloxymethyl)-3-chloro-2-(chloromethyl)propyl] ester; lauric acid Formula: C29H54Cl2O6 MolecularWeight: 569.64146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)O.CCCCCC(=O)OCC(COC(=O)CCCCC)(CCl)CCl

Isomeric SMILES

CCCCCCCCCCCC(=O)O.CCCCCC(=O)OCC(COC(=O)CCCCC)(CCl)CCl

InChI

InChI=1S/C17H30Cl2O4.C12H24O2/c1-3-5-7-9-15(20)22-13-17(11-18,12-19)14-23-16(21)10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12(13)14/h3-14H2,1-2H3;2-11H2,1H3,(H,13,14)