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4-isothiocyanato-3-methyl-benzoate

4-isothiocyanato-3-methyl-benzoate

Systemtic Name:4-isothiocyanato-3-methyl-benzoate
Openeye Name:4-isothiocyanato-3-methyl-benzoate
CAS Name:4-isothiocyanato-3-methylbenzoate
IUPAC Name:4-isothiocyanato-3-methylbenzoate
Traditional Name:4-isothiocyanato-3-methyl-benzoate
Formula: C9H6NO2S-
MolecularWeight: 192.21444
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)[O-])N=C=S


Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)[O-])N=C=S


InChI

InChI=1S/C9H7NO2S/c1-6-4-7(9(11)12)2-3-8(6)10-5-13/h2-4H,1H3,(H,11,12)/p-1


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