1-isocyanatooctadecane; methylbenzene

Systemtic Name: 1-isocyanatooctadecane; methylbenzene Openeye Name: 1-isocyanatooctadecane; toluene CAS Name: 1-isocyanatooctadecane; toluene IUPAC Name: 1-isocyanatooctadecane; toluene Traditional Name: 1-isocyanatooctadecane; toluene Formula: C26H45NO MolecularWeight: 387.6416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN=C=O.CC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN=C=O.CC1=CC=CC=C1

InChI

InChI=1S/C19H37NO.C7H8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21;1-7-5-3-2-4-6-7/h2-18H2,1H3;2-6H,1H3