1-chloranyl-4-(3-ethyl-3-isocyanato-pentyl)benzene

Systemtic Name: 1-chloranyl-4-(3-ethyl-3-isocyanato-pentyl)benzene Openeye Name: 1-chloro-4-(3-ethyl-3-isocyanato-pentyl)benzene CAS Name: 1-chloro-4-(3-ethyl-3-isocyanatopentyl)benzene IUPAC Name: 1-chloro-4-(3-ethyl-3-isocyanatopentyl)benzene Traditional Name: 1-chloro-4-(3-ethyl-3-isocyanato-pentyl)benzene Formula: C14H18ClNO MolecularWeight: 251.75182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCC1=CC=C(C=C1)Cl)N=C=O

Isomeric SMILES

CCC(CC)(CCC1=CC=C(C=C1)Cl)N=C=O

InChI

InChI=1S/C14H18ClNO/c1-3-14(4-2,16-11-17)10-9-12-5-7-13(15)8-6-12/h5-8H,3-4,9-10H2,1-2H3