1-chloranyl-3-[(2S)-2-isocyanato-2-(4-methylphenyl)ethyl]benzene

Systemtic Name: 1-chloranyl-3-[(2S)-2-isocyanato-2-(4-methylphenyl)ethyl]benzene Openeye Name: 1-chloro-3-[(2S)-2-isocyanato-2-(p-tolyl)ethyl]benzene CAS Name: 1-chloro-3-[(2S)-2-isocyanato-2-(4-methylphenyl)ethyl]benzene IUPAC Name: 1-chloro-3-[(2S)-2-isocyanato-2-(4-methylphenyl)ethyl]benzene Traditional Name: 1-chloro-3-[(2S)-2-isocyanato-2-(p-tolyl)ethyl]benzene Formula: C16H14ClNO MolecularWeight: 271.74146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC2=CC(=CC=C2)Cl)N=C=O

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClNO/c1-12-5-7-14(8-6-12)16(18-11-19)10-13-3-2-4-15(17)9-13/h2-9,16H,10H2,1H3/t16-/m0/s1