7-[bis(oxidanyl)methylidene]-3,4,5-trimethyl-3,4-dihydroisochromene-6,8-dione hydrate

Systemtic Name: 7-[bis(oxidanyl)methylidene]-3,4,5-trimethyl-3,4-dihydroisochromene-6,8-dione hydrate Openeye Name: 7-(dihydroxymethylene)-3,4,5-trimethyl-3,4-dihydroisochromene-6,8-dione hydrate CAS Name: 7-(dihydroxymethylidene)-3,4,5-trimethyl-3,4-dihydro-2-benzopyran-6,8-dione hydrate IUPAC Name: 7-(dihydroxymethylidene)-3,4,5-trimethyl-3,4-dihydroisochromene-6,8-dione hydrate Traditional Name: 7-(dihydroxymethylene)-3,4,5-trimethyl-3,4-dihydroisochromene-6,8-quinone hydrate Formula: C13H16O6 MolecularWeight: 268.26254

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC=C2C1=C(C(=O)C(=C(O)O)C2=O)C)C.O

Isomeric SMILES

CC1C(OC=C2C1=C(C(=O)C(=C(O)O)C2=O)C)C.O

InChI

InChI=1S/C13H14O5.H2O/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17;/h4-5,7,16-17H,1-3H3;1H2