3-(4-isothiocyanatosulfanylphenoxy)-4,4-bis(oxidanyl)-2-oxidanylidene-but-3-enoic acid

Systemtic Name: 3-(4-isothiocyanatosulfanylphenoxy)-4,4-bis(oxidanyl)-2-oxidanylidene-but-3-enoic acid Openeye Name: 4,4-dihydroxy-3-(4-isothiocyanatosulfanylphenoxy)-2-oxo-but-3-enoic acid CAS Name: 4,4-dihydroxy-3-[4-(isothiocyanatothio)phenoxy]-2-oxo-3-butenoic acid IUPAC Name: 4,4-dihydroxy-3-(4-isothiocyanatosulfanylphenoxy)-2-oxobut-3-enoic acid Traditional Name: 4,4-dihydroxy-3-[4-(isothiocyanatothio)phenoxy]-2-keto-but-3-enoic acid Formula: C11H7NO6S2 MolecularWeight: 313.30638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC(=C(O)O)C(=O)C(=O)O)SN=C=S

Isomeric SMILES

C1=CC(=CC=C1OC(=C(O)O)C(=O)C(=O)O)SN=C=S

InChI

InChI=1S/C11H7NO6S2/c13-8(10(14)15)9(11(16)17)18-6-1-3-7(4-2-6)20-12-5-19/h1-4,16-17H,(H,14,15)