(E)-2-isocyanatooct-2-enoic acid

Systemtic Name: (E)-2-isocyanatooct-2-enoic acid Openeye Name: (E)-2-isocyanatooct-2-enoic acid CAS Name: (E)-2-isocyanato-2-octenoic acid IUPAC Name: (E)-2-isocyanatooct-2-enoic acid Traditional Name: (E)-2-isocyanatooct-2-enoic acid Formula: C9H13NO3 MolecularWeight: 183.20442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=C(C(=O)O)N=C=O

Isomeric SMILES

CCCCC/C=C(\C(=O)O)/N=C=O

InChI

InChI=1S/C9H13NO3/c1-2-3-4-5-6-8(9(12)13)10-7-11/h6H,2-5H2,1H3,(H,12,13)/b8-6+