methyl (2S)-3,3-bis(chloranyl)-4-oxidanylidene-2-(phenylmethyl)-2H-chromene-6-carboxylate

Systemtic Name: methyl (2S)-3,3-bis(chloranyl)-4-oxidanylidene-2-(phenylmethyl)-2H-chromene-6-carboxylate Openeye Name: methyl (2S)-2-benzyl-3,3-dichloro-4-oxo-chromane-6-carboxylate CAS Name: (2S)-3,3-dichloro-4-oxo-2-(phenylmethyl)-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid methyl ester IUPAC Name: methyl (2S)-2-benzyl-3,3-dichloro-4-oxo-2H-chromene-6-carboxylate Traditional Name: (2S)-2-benzyl-3,3-dichloro-4-keto-chroman-6-carboxylic acid methyl ester Formula: C18H14Cl2O4 MolecularWeight: 365.20736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC(C(C2=O)(Cl)Cl)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)O[C@H](C(C2=O)(Cl)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C18H14Cl2O4/c1-23-17(22)12-7-8-14-13(10-12)16(21)18(19,20)15(24-14)9-11-5-3-2-4-6-11/h2-8,10,15H,9H2,1H3/t15-/m0/s1