1-[4-(2-isothiocyanatoethoxy)phenyl]-2-methyl-2-oxidanyl-propan-1-one

Systemtic Name: 1-[4-(2-isothiocyanatoethoxy)phenyl]-2-methyl-2-oxidanyl-propan-1-one Openeye Name: 2-hydroxy-1-[4-(2-isothiocyanatoethoxy)phenyl]-2-methyl-propan-1-one CAS Name: 2-hydroxy-1-[4-(2-isothiocyanatoethoxy)phenyl]-2-methyl-1-propanone IUPAC Name: 2-hydroxy-1-[4-(2-isothiocyanatoethoxy)phenyl]-2-methylpropan-1-one Traditional Name: 2-hydroxy-1-[4-(2-isothiocyanatoethoxy)phenyl]-2-methyl-propan-1-one Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C1=CC=C(C=C1)OCCN=C=S)O

Isomeric SMILES

CC(C)(C(=O)C1=CC=C(C=C1)OCCN=C=S)O

InChI

InChI=1S/C13H15NO3S/c1-13(2,16)12(15)10-3-5-11(6-4-10)17-8-7-14-9-18/h3-6,16H,7-8H2,1-2H3