dimethyl 2-isocyanohexanedioate

Systemtic Name: dimethyl 2-isocyanohexanedioate Openeye Name: dimethyl 2-isocyanohexanedioate CAS Name: 2-isocyanohexanedioic acid dimethyl ester IUPAC Name: dimethyl 2-isocyanohexanedioate Traditional Name: 2-isocyanoadipic acid dimethyl ester Formula: C9H13NO4 MolecularWeight: 199.20382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(C(=O)OC)[N+]#[C-]

Isomeric SMILES

COC(=O)CCCC(C(=O)OC)[N+]#[C-]

InChI

InChI=1S/C9H13NO4/c1-10-7(9(12)14-3)5-4-6-8(11)13-2/h7H,4-6H2,2-3H3