isocyanato 6-isocyanato-2-methyl-hexanoate

Systemtic Name: isocyanato 6-isocyanato-2-methyl-hexanoate Openeye Name: isocyanato 6-isocyanato-2-methyl-hexanoate CAS Name: 6-isocyanato-2-methylhexanoic acid isocyanato ester IUPAC Name: isocyanato 6-isocyanato-2-methylhexanoate Traditional Name: 6-isocyanato-2-methyl-hexanoic acid isocyanato ester Formula: C9H12N2O4 MolecularWeight: 212.20258

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN=C=O)C(=O)ON=C=O

Isomeric SMILES

CC(CCCCN=C=O)C(=O)ON=C=O

InChI

InChI=1S/C9H12N2O4/c1-8(9(14)15-11-7-13)4-2-3-5-10-6-12/h8H,2-5H2,1H3