6,7-dimethyl-2-oxidanyl-4a,5,6,7,8,8a-hexahydrochromen-4-one hydrate

Systemtic Name: 6,7-dimethyl-2-oxidanyl-4a,5,6,7,8,8a-hexahydrochromen-4-one hydrate Openeye Name: 2-hydroxy-6,7-dimethyl-4a,5,6,7,8,8a-hexahydrochromen-4-one hydrate CAS Name: 2-hydroxy-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1-benzopyran-4-one hydrate IUPAC Name: 2-hydroxy-6,7-dimethyl-4a,5,6,7,8,8a-hexahydrochromen-4-one hydrate Traditional Name: 2-hydroxy-6,7-dimethyl-4a,5,6,7,8,8a-hexahydrochromen-4-one hydrate Formula: C11H18O4 MolecularWeight: 214.25822

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C(CC1C)OC(=CC2=O)O.O

Isomeric SMILES

CC1CC2C(CC1C)OC(=CC2=O)O.O

InChI

InChI=1S/C11H16O3.H2O/c1-6-3-8-9(12)5-11(13)14-10(8)4-7(6)2;/h5-8,10,13H,3-4H2,1-2H3;1H2