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2,3-diisothiocyanatobenzoic acid

2,3-diisothiocyanatobenzoic acid

Systemtic Name:2,3-diisothiocyanatobenzoic acid
Openeye Name:2,3-diisothiocyanatobenzoic acid
CAS Name:2,3-diisothiocyanatobenzoic acid
IUPAC Name:2,3-diisothiocyanatobenzoic acid
Traditional Name:2,3-diisothiocyanatobenzoic acid
Formula: C9H4N2O2S2
MolecularWeight: 236.27026
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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