methyl 3,5-bis(isothiocyanatomethyl)benzoate

Systemtic Name: methyl 3,5-bis(isothiocyanatomethyl)benzoate Openeye Name: methyl 3,5-bis(isothiocyanatomethyl)benzoate CAS Name: 3,5-bis(isothiocyanatomethyl)benzoic acid methyl ester IUPAC Name: methyl 3,5-bis(isothiocyanatomethyl)benzoate Traditional Name: 3,5-bis(isothiocyanatomethyl)benzoic acid methyl ester Formula: C12H10N2O2S2 MolecularWeight: 278.35

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O2S2/c1-16-12(15)11-3-9(5-13-7-17)2-10(4-11)6-14-8-18/h2-4H,5-6H2,1H3