3-[(2S)-6-chloranyl-2-methyl-4-oxidanylidene-3H-chromen-2-yl]propanoic acid

Systemtic Name: 3-[(2S)-6-chloranyl-2-methyl-4-oxidanylidene-3H-chromen-2-yl]propanoic acid Openeye Name: 3-[(2S)-6-chloro-2-methyl-4-oxo-chroman-2-yl]propanoic acid CAS Name: 3-[(2S)-6-chloro-2-methyl-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[(2S)-6-chloro-2-methyl-4-oxo-3H-chromen-2-yl]propanoic acid Traditional Name: 3-[(2S)-6-chloro-4-keto-2-methyl-chroman-2-yl]propionic acid Formula: C13H13ClO4 MolecularWeight: 268.69292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(O1)C=CC(=C2)Cl)CCC(=O)O

Isomeric SMILES

C[C@@]1(CC(=O)C2=C(O1)C=CC(=C2)Cl)CCC(=O)O

InChI

InChI=1S/C13H13ClO4/c1-13(5-4-12(16)17)7-10(15)9-6-8(14)2-3-11(9)18-13/h2-3,6H,4-5,7H2,1H3,(H,16,17)/t13-/m0/s1