methyl 3-hexyl-2-isocyanato-benzoate

Systemtic Name: methyl 3-hexyl-2-isocyanato-benzoate Openeye Name: methyl 3-hexyl-2-isocyanato-benzoate CAS Name: 3-hexyl-2-isocyanatobenzoic acid methyl ester IUPAC Name: methyl 3-hexyl-2-isocyanatobenzoate Traditional Name: 3-hexyl-2-isocyanato-benzoic acid methyl ester Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC(=C1N=C=O)C(=O)OC

Isomeric SMILES

CCCCCCC1=CC=CC(=C1N=C=O)C(=O)OC

InChI

InChI=1S/C15H19NO3/c1-3-4-5-6-8-12-9-7-10-13(15(18)19-2)14(12)16-11-17/h7,9-10H,3-6,8H2,1-2H3