(5S)-6-ethyl-3-(hydroxymethyl)-5-oxidanyl-5,6,7,8-tetrahydrochromen-4-one

Systemtic Name: (5S)-6-ethyl-3-(hydroxymethyl)-5-oxidanyl-5,6,7,8-tetrahydrochromen-4-one Openeye Name: (5S)-6-ethyl-5-hydroxy-3-(hydroxymethyl)-5,6,7,8-tetrahydrochromen-4-one CAS Name: (5S)-6-ethyl-5-hydroxy-3-(hydroxymethyl)-5,6,7,8-tetrahydro-1-benzopyran-4-one IUPAC Name: (5S)-6-ethyl-5-hydroxy-3-(hydroxymethyl)-5,6,7,8-tetrahydrochromen-4-one Traditional Name: (5S)-6-ethyl-5-hydroxy-3-methylol-5,6,7,8-tetrahydrochromen-4-one Formula: C12H16O4 MolecularWeight: 224.25304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1O)C(=O)C(=CO2)CO

Isomeric SMILES

CCC1CCC2=C([C@H]1O)C(=O)C(=CO2)CO

InChI

InChI=1S/C12H16O4/c1-2-7-3-4-9-10(11(7)14)12(15)8(5-13)6-16-9/h6-7,11,13-14H,2-5H2,1H3/t7?,11-/m0/s1