1-isothiocyanato-2-methyl-benzene; 1-methoxy-4-oxa-1-azoniabicyclo[4.1.0]heptan-7-one

Systemtic Name: 1-isothiocyanato-2-methyl-benzene; 1-methoxy-4-oxa-1-azoniabicyclo[4.1.0]heptan-7-one Openeye Name: 1-isothiocyanato-2-methyl-benzene; 1-methoxy-4-oxa-1-azoniabicyclo[4.1.0]heptan-7-one CAS Name: 1-isothiocyanato-2-methylbenzene; 1-methoxy-4-oxa-1-azoniabicyclo[4.1.0]heptan-7-one IUPAC Name: 1-isothiocyanato-2-methylbenzene; 1-methoxy-4-oxa-1-azoniabicyclo[4.1.0]heptan-7-one Traditional Name: 1-isothiocyanato-2-methyl-benzene; 1-methoxy-4-oxa-1-azoniabicyclo[4.1.0]heptan-7-one Formula: C14H17N2O3S+ MolecularWeight: 293.36138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N=C=S.CO[N+]12CCOCC1C2=O

Isomeric SMILES

CC1=CC=CC=C1N=C=S.CO[N+]12CCOCC1C2=O

InChI

InChI=1S/C8H7NS.C6H10NO3/c1-7-4-2-3-5-8(7)9-6-10;1-9-7-2-3-10-4-5(7)6(7)8/h2-5H,1H3;5H,2-4H2,1H3/q;+1