methyl (2S)-3-chloranyl-4-oxidanylidene-2-(phenylmethyl)-2,3-dihydrochromene-6-carboxylate

Systemtic Name: methyl (2S)-3-chloranyl-4-oxidanylidene-2-(phenylmethyl)-2,3-dihydrochromene-6-carboxylate Openeye Name: methyl (2S)-2-benzyl-3-chloro-4-oxo-chromane-6-carboxylate CAS Name: (2S)-3-chloro-4-oxo-2-(phenylmethyl)-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid methyl ester IUPAC Name: methyl (2S)-2-benzyl-3-chloro-4-oxo-2,3-dihydrochromene-6-carboxylate Traditional Name: (2S)-2-benzyl-3-chloro-4-keto-chroman-6-carboxylic acid methyl ester Formula: C18H15ClO4 MolecularWeight: 330.7623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClO4/c1-22-18(21)12-7-8-14-13(10-12)17(20)16(19)15(23-14)9-11-5-3-2-4-6-11/h2-8,10,15-16H,9H2,1H3/t15-,16?/m0/s1