(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H19ClO5 MolecularWeight: 398.83626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3CC4=C(C=CC(=C4)Cl)OC3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)[C@H]3CC4=C(C=CC(=C4)Cl)OC3)C

InChI

InChI=1S/C22H19ClO5/c1-12-5-18-15(9-21(24)28-20(18)6-13(12)2)10-27-22(25)16-7-14-8-17(23)3-4-19(14)26-11-16/h3-6,8-9,16H,7,10-11H2,1-2H3/t16-/m0/s1