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methyl 4-isothiocyanatobenzoate

methyl 4-isothiocyanatobenzoate

Systemtic Name:methyl 4-isothiocyanatobenzoate
Openeye Name:methyl 4-isothiocyanatobenzoate
CAS Name:4-isothiocyanatobenzoic acid methyl ester
IUPAC Name:methyl 4-isothiocyanatobenzoate
Traditional Name:4-isothiocyanatobenzoic acid methyl ester
Formula: C9H7NO2S
MolecularWeight: 193.22238
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N=C=S


Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N=C=S


InChI

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


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