(4-ethanoylphenyl) (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: (4-ethanoylphenyl) (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: (4-acetylphenyl) (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid (4-acetylphenyl) ester Formula: C18H15ClO4 MolecularWeight: 330.7623

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)[C@H]2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C18H15ClO4/c1-11(20)12-2-5-16(6-3-12)23-18(21)14-8-13-9-15(19)4-7-17(13)22-10-14/h2-7,9,14H,8,10H2,1H3/t14-/m0/s1