(2E)-2-ethylidene-6-isocyanato-hexanoic acid

Systemtic Name: (2E)-2-ethylidene-6-isocyanato-hexanoic acid Openeye Name: (2E)-2-ethylidene-6-isocyanato-hexanoic acid CAS Name: (2E)-2-ethylidene-6-isocyanatohexanoic acid IUPAC Name: (2E)-2-ethylidene-6-isocyanatohexanoic acid Traditional Name: (E)-2-(4-isocyanatobutyl)but-2-enoic acid Formula: C9H13NO3 MolecularWeight: 183.20442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C(\CCCCN=C=O)/C(=O)O

InChI

InChI=1S/C9H13NO3/c1-2-8(9(12)13)5-3-4-6-10-7-11/h2H,3-6H2,1H3,(H,12,13)/b8-2+