(2S,4S)-6-ethanoyl-4-methoxy-5-oxidanyl-3,4-dihydro-2H-chromene-2-carboxylic acid

Systemtic Name: (2S,4S)-6-ethanoyl-4-methoxy-5-oxidanyl-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: (2S,4S)-6-acetyl-5-hydroxy-4-methoxy-chromane-2-carboxylic acid CAS Name: (2S,4S)-6-acetyl-5-hydroxy-4-methoxy-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: (2S,4S)-6-acetyl-5-hydroxy-4-methoxy-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: (2S,4S)-6-acetyl-5-hydroxy-4-methoxy-chroman-2-carboxylic acid Formula: C13H14O6 MolecularWeight: 266.24666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(C=C1)OC(CC2OC)C(=O)O)O

Isomeric SMILES

CC(=O)C1=C(C2=C(C=C1)O[C@@H](C[C@@H]2OC)C(=O)O)O

InChI

InChI=1S/C13H14O6/c1-6(14)7-3-4-8-11(12(7)15)9(18-2)5-10(19-8)13(16)17/h3-4,9-10,15H,5H2,1-2H3,(H,16,17)/t9-,10-/m0/s1