3-[(2S)-2-methyl-4-oxidanylidene-3H-chromen-2-yl]propanoic acid

Systemtic Name: 3-[(2S)-2-methyl-4-oxidanylidene-3H-chromen-2-yl]propanoic acid Openeye Name: 3-[(2S)-2-methyl-4-oxo-chroman-2-yl]propanoic acid CAS Name: 3-[(2S)-2-methyl-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[(2S)-2-methyl-4-oxo-3H-chromen-2-yl]propanoic acid Traditional Name: 3-[(2S)-4-keto-2-methyl-chroman-2-yl]propionic acid Formula: C13H14O4 MolecularWeight: 234.24786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=CC=CC=C2O1)CCC(=O)O

Isomeric SMILES

C[C@@]1(CC(=O)C2=CC=CC=C2O1)CCC(=O)O

InChI

InChI=1S/C13H14O4/c1-13(7-6-12(15)16)8-10(14)9-4-2-3-5-11(9)17-13/h2-5H,6-8H2,1H3,(H,15,16)/t13-/m0/s1