(4-bromanyl-2-chloranyl-6-methyl-phenyl) (3R)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate

Systemtic Name: (4-bromanyl-2-chloranyl-6-methyl-phenyl) (3R)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate Openeye Name: (4-bromo-2-chloro-6-methyl-phenyl) (3R)-1-oxoisochromane-3-carboxylate CAS Name: (3R)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid (4-bromo-2-chloro-6-methylphenyl) ester IUPAC Name: (4-bromo-2-chloro-6-methylphenyl) (3R)-1-oxo-3,4-dihydroisochromene-3-carboxylate Traditional Name: (3R)-1-ketoisochroman-3-carboxylic acid (4-bromo-2-chloro-6-methyl-phenyl) ester Formula: C17H12BrClO4 MolecularWeight: 395.63178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2CC3=CC=CC=C3C(=O)O2)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)[C@H]2CC3=CC=CC=C3C(=O)O2)Cl)Br

InChI

InChI=1S/C17H12BrClO4/c1-9-6-11(18)8-13(19)15(9)23-17(21)14-7-10-4-2-3-5-12(10)16(20)22-14/h2-6,8,14H,7H2,1H3/t14-/m1/s1