(4S,5S,6R)-2-(hydroxymethyl)-6-methyl-4,5-bis(oxidanyl)cyclohex-2-en-1-one

Systemtic Name: (4S,5S,6R)-2-(hydroxymethyl)-6-methyl-4,5-bis(oxidanyl)cyclohex-2-en-1-one Openeye Name: (4S,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyl-cyclohex-2-en-1-one CAS Name: (4S,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyl-1-cyclohex-2-enone IUPAC Name: (4S,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methylcyclohex-2-en-1-one Traditional Name: (4S,5S,6R)-4,5-dihydroxy-6-methyl-2-methylol-cyclohex-2-en-1-one Formula: C8H12O4 MolecularWeight: 172.17848

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C=C(C1=O)CO)O)O

Isomeric SMILES

C[C@@H]1[C@@H]([C@H](C=C(C1=O)CO)O)O

InChI

InChI=1S/C8H12O4/c1-4-7(11)5(3-9)2-6(10)8(4)12/h2,4,6,8-10,12H,3H2,1H3/t4-,6-,8-/m0/s1