isocyanatoethane; 3-isocyanatopropylbenzene

Systemtic Name: isocyanatoethane; 3-isocyanatopropylbenzene Openeye Name: isocyanatoethane; 3-isocyanatopropylbenzene CAS Name: isocyanatoethane; 3-isocyanatopropylbenzene IUPAC Name: isocyanatoethane; 3-isocyanatopropylbenzene Traditional Name: isocyanatoethane; 3-isocyanatopropylbenzene Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C=O.C1=CC=C(C=C1)CCCN=C=O

Isomeric SMILES

CCN=C=O.C1=CC=C(C=C1)CCCN=C=O

InChI

InChI=1S/C10H11NO.C3H5NO/c12-9-11-8-4-7-10-5-2-1-3-6-10;1-2-4-3-5/h1-3,5-6H,4,7-8H2;2H2,1H3