chromen-2-one; (2S,3R,4S,5R)-2-sulfanyloxane-3,4,5-triol

Systemtic Name: chromen-2-one; (2S,3R,4S,5R)-2-sulfanyloxane-3,4,5-triol Openeye Name: chromen-2-one; (2S,3R,4S,5R)-2-sulfanyltetrahydropyran-3,4,5-triol CAS Name: 1-benzopyran-2-one; (2S,3R,4S,5R)-2-mercaptooxane-3,4,5-triol IUPAC Name: chromen-2-one; (2S,3R,4S,5R)-2-sulfanyloxane-3,4,5-triol Traditional Name: coumarin; (2S,3R,4S,5R)-2-mercaptotetrahydropyran-3,4,5-triol Formula: C14H16O6S MolecularWeight: 312.33824

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(O1)S)O)O)O.C1=CC=C2C(=C1)C=CC(=O)O2

Isomeric SMILES

C1[C@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O.C1=CC=C2C(=C1)C=CC(=O)O2

InChI

InChI=1S/C9H6O2.C5H10O4S/c10-9-6-5-7-3-1-2-4-8(7)11-9;6-2-1-9-5(10)4(8)3(2)7/h1-6H;2-8,10H,1H2/t;2-,3+,4-,5+/m.1/s1