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

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

Systemtic Name:2-ethoxy-6-methyl-3-oxidanyl-cyclohepta-2,4,6-trien-1-one hydrate
Openeye Name:2-ethoxy-3-hydroxy-6-methyl-cyclohepta-2,4,6-trien-1-one hydrate
CAS Name:2-ethoxy-3-hydroxy-6-methyl-1-cyclohepta-2,4,6-trienone hydrate
IUPAC Name:2-ethoxy-3-hydroxy-6-methylcyclohepta-2,4,6-trien-1-one hydrate
Traditional Name:2-ethoxy-3-hydroxy-6-methyl-cyclohepta-2,4,6-trien-1-one hydrate
Formula: C10H14O4
MolecularWeight: 198.21576
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=CC1=O)C)O.O


Isomeric SMILES

CCOC1=C(C=CC(=CC1=O)C)O.O


InChI

InChI=1S/C10H12O3.H2O/c1-3-13-10-8(11)5-4-7(2)6-9(10)12;/h4-6,11H,3H2,1-2H3;1H2


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