[3-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl N-chloranylcarbamate

Systemtic Name: [3-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl N-chloranylcarbamate Openeye Name: [3-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl N-chlorocarbamate CAS Name: N-chlorocarbamic acid [3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl ester IUPAC Name: [3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl N-chlorocarbamate Traditional Name: N-chlorocarbamic acid [3-(3-hydroxy-3-methyl-but-1-ynyl)benzyl] ester Formula: C13H14ClNO3 MolecularWeight: 267.70816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC(=CC=C1)COC(=O)NCl)O

Isomeric SMILES

CC(C)(C#CC1=CC(=CC=C1)COC(=O)NCl)O

InChI

InChI=1S/C13H14ClNO3/c1-13(2,17)7-6-10-4-3-5-11(8-10)9-18-12(16)15-14/h3-5,8,17H,9H2,1-2H3,(H,15,16)