2-oxidanyl-3-sulfanyl-chromen-4-one hydrate

Systemtic Name: 2-oxidanyl-3-sulfanyl-chromen-4-one hydrate Openeye Name: 2-hydroxy-3-sulfanyl-chromen-4-one hydrate CAS Name: 2-hydroxy-3-mercapto-1-benzopyran-4-one hydrate IUPAC Name: 2-hydroxy-3-sulfanylchromen-4-one hydrate Traditional Name: 2-hydroxy-3-mercapto-chromone hydrate Formula: C9H8O4S MolecularWeight: 212.22242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(O2)O)S.O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(O2)O)S.O

InChI

InChI=1S/C9H6O3S.H2O/c10-7-5-3-1-2-4-6(5)12-9(11)8(7)13;/h1-4,11,13H;1H2