3-isocyanato-7-methyl-2-methylidene-octanoic acid

Systemtic Name: 3-isocyanato-7-methyl-2-methylidene-octanoic acid Openeye Name: 3-isocyanato-7-methyl-2-methylene-octanoic acid CAS Name: 3-isocyanato-7-methyl-2-methyleneoctanoic acid IUPAC Name: 3-isocyanato-7-methyl-2-methylideneoctanoic acid Traditional Name: 2-(1-isocyanato-5-methyl-hexyl)acrylic acid Formula: C11H17NO3 MolecularWeight: 211.25758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C(=C)C(=O)O)N=C=O

Isomeric SMILES

CC(C)CCCC(C(=C)C(=O)O)N=C=O

InChI

InChI=1S/C11H17NO3/c1-8(2)5-4-6-10(12-7-13)9(3)11(14)15/h8,10H,3-6H2,1-2H3,(H,14,15)