(2R)-2-ethyl-2-methyl-4-oxidanylidene-3H-chromene-6-carboxylic acid

Systemtic Name: (2R)-2-ethyl-2-methyl-4-oxidanylidene-3H-chromene-6-carboxylic acid Openeye Name: (2R)-2-ethyl-2-methyl-4-oxo-chromane-6-carboxylic acid CAS Name: (2R)-2-ethyl-2-methyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid IUPAC Name: (2R)-2-ethyl-2-methyl-4-oxo-3H-chromene-6-carboxylic acid Traditional Name: (2R)-2-ethyl-4-keto-2-methyl-chroman-6-carboxylic acid Formula: C13H14O4 MolecularWeight: 234.24786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=O)C2=C(O1)C=CC(=C2)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C13H14O4/c1-3-13(2)7-10(14)9-6-8(12(15)16)4-5-11(9)17-13/h4-6H,3,7H2,1-2H3,(H,15,16)/t13-/m1/s1