6-[(2S)-2-isocyanato-2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine

Systemtic Name: 6-[(2S)-2-isocyanato-2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine Openeye Name: 6-[(2S)-2-isocyanato-2-(p-tolyl)ethyl]-2,3-dihydro-1,4-benzodioxine CAS Name: 6-[(2S)-2-isocyanato-2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxin IUPAC Name: 6-[(2S)-2-isocyanato-2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine Traditional Name: 6-[(2S)-2-isocyanato-2-(p-tolyl)ethyl]-2,3-dihydro-1,4-benzodioxin Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC2=CC3=C(C=C2)OCCO3)N=C=O

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC2=CC3=C(C=C2)OCCO3)N=C=O

InChI

InChI=1S/C18H17NO3/c1-13-2-5-15(6-3-13)16(19-12-20)10-14-4-7-17-18(11-14)22-9-8-21-17/h2-7,11,16H,8-10H2,1H3/t16-/m0/s1