ethyl (3S,8aR)-6-chloranyl-3-methyl-1-oxidanylidene-3H-cyclohepta[c]furan-8a-carboxylate

Systemtic Name: ethyl (3S,8aR)-6-chloranyl-3-methyl-1-oxidanylidene-3H-cyclohepta[c]furan-8a-carboxylate Openeye Name: ethyl (3S,8aR)-6-chloro-3-methyl-1-oxo-3H-cyclohepta[c]furan-8a-carboxylate CAS Name: (3S,8aR)-6-chloro-3-methyl-1-oxo-3H-cyclohepta[c]furan-8a-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,8aR)-6-chloro-3-methyl-1-oxo-3H-cyclohepta[c]furan-8a-carboxylate Traditional Name: (3S,8aR)-6-chloro-1-keto-3-methyl-3H-cyclohepta[c]furan-8a-carboxylic acid ethyl ester Formula: C13H13ClO4 MolecularWeight: 268.69292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12C=CC(=CC=C1C(OC2=O)C)Cl

Isomeric SMILES

CCOC(=O)[C@@]12C=CC(=CC=C1[C@@H](OC2=O)C)Cl

InChI

InChI=1S/C13H13ClO4/c1-3-17-11(15)13-7-6-9(14)4-5-10(13)8(2)18-12(13)16/h4-8H,3H2,1-2H3/t8-,13+/m0/s1