ethyl 3-hex-1-ynyl-4-isocyanato-benzoate

Systemtic Name: ethyl 3-hex-1-ynyl-4-isocyanato-benzoate Openeye Name: ethyl 3-hex-1-ynyl-4-isocyanato-benzoate CAS Name: 3-hex-1-ynyl-4-isocyanatobenzoic acid ethyl ester IUPAC Name: ethyl 3-hex-1-ynyl-4-isocyanatobenzoate Traditional Name: 3-hex-1-ynyl-4-isocyanato-benzoic acid ethyl ester Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C(C=CC(=C1)C(=O)OCC)N=C=O

Isomeric SMILES

CCCCC#CC1=C(C=CC(=C1)C(=O)OCC)N=C=O

InChI

InChI=1S/C16H17NO3/c1-3-5-6-7-8-13-11-14(16(19)20-4-2)9-10-15(13)17-12-18/h9-11H,3-6H2,1-2H3