2-methoxy-4-methyl-3-oxidanyl-cyclohepta-2,4,6-trien-1-one hydrate

Systemtic Name: 2-methoxy-4-methyl-3-oxidanyl-cyclohepta-2,4,6-trien-1-one hydrate Openeye Name: 3-hydroxy-2-methoxy-4-methyl-cyclohepta-2,4,6-trien-1-one hydrate CAS Name: 3-hydroxy-2-methoxy-4-methyl-1-cyclohepta-2,4,6-trienone hydrate IUPAC Name: 3-hydroxy-2-methoxy-4-methylcyclohepta-2,4,6-trien-1-one hydrate Traditional Name: 3-hydroxy-2-methoxy-4-methyl-cyclohepta-2,4,6-trien-1-one hydrate Formula: C9H12O4 MolecularWeight: 184.18918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O3.H2O/c1-6-4-3-5-7(10)9(12-2)8(6)11;/h3-5,11H,1-2H3;1H2