dodecanoate; 3-iodanylprop-1-ynyl N-butylcarbamate

Systemtic Name: dodecanoate; 3-iodanylprop-1-ynyl N-butylcarbamate Openeye Name: dodecanoate; 3-iodoprop-1-ynyl N-butylcarbamate CAS Name: N-butylcarbamic acid 3-iodoprop-1-ynyl ester; dodecanoate IUPAC Name: dodecanoate; 3-iodoprop-1-ynyl N-butylcarbamate Traditional Name: N-butylcarbamic acid 3-iodoprop-1-ynyl ester; laurate Formula: C20H35INO4- MolecularWeight: 480.40067

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)[O-].CCCCNC(=O)OC#CCI

Isomeric SMILES

CCCCCCCCCCCC(=O)[O-].CCCCNC(=O)OC#CCI

InChI

InChI=1S/C12H24O2.C8H12INO2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-2-3-6-10-8(11)12-7-4-5-9/h2-11H2,1H3,(H,13,14);2-3,5-6H2,1H3,(H,10,11)/p-1