3-isothiocyanato-4-methyl-benzoic acid

Systemtic Name: 3-isothiocyanato-4-methyl-benzoic acid Openeye Name: 3-isothiocyanato-4-methyl-benzoic acid CAS Name: 3-isothiocyanato-4-methylbenzoic acid IUPAC Name: 3-isothiocyanato-4-methylbenzoic acid Traditional Name: 3-isothiocyanato-4-methyl-benzoic acid Formula: C9H7NO2S MolecularWeight: 193.22238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)N=C=S

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N=C=S

InChI

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