4-methyl-2,3-bis(oxidanyl)cyclohepta-2,4,6-trien-1-one hydrate

Systemtic Name: 4-methyl-2,3-bis(oxidanyl)cyclohepta-2,4,6-trien-1-one hydrate Openeye Name: 2,3-dihydroxy-4-methyl-cyclohepta-2,4,6-trien-1-one hydrate CAS Name: 2,3-dihydroxy-4-methyl-1-cyclohepta-2,4,6-trienone hydrate IUPAC Name: 2,3-dihydroxy-4-methylcyclohepta-2,4,6-trien-1-one hydrate Traditional Name: 2,3-dihydroxy-4-methyl-cyclohepta-2,4,6-trien-1-one hydrate Formula: C8H10O4 MolecularWeight: 170.1626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=O)C(=C1O)O.O

Isomeric SMILES

CC1=CC=CC(=O)C(=C1O)O.O

InChI

InChI=1S/C8H8O3.H2O/c1-5-3-2-4-6(9)8(11)7(5)10;/h2-4H,1H3,(H2,9,10,11);1H2