3,4-diisothiocyanatobenzoic acid

Systemtic Name: 3,4-diisothiocyanatobenzoic acid Openeye Name: 3,4-diisothiocyanatobenzoic acid CAS Name: 3,4-diisothiocyanatobenzoic acid IUPAC Name: 3,4-diisothiocyanatobenzoic acid Traditional Name: 3,4-diisothiocyanatobenzoic acid Formula: C9H4N2O2S2 MolecularWeight: 236.27026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)N=C=S)N=C=S

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)N=C=S)N=C=S

InChI

InChI=1S/C9H4N2O2S2/c12-9(13)6-1-2-7(10-4-14)8(3-6)11-5-15/h1-3H,(H,12,13)