methyl (4S,5R)-4-(4-chlorophenyl)-5-methanoyl-6-methyl-2-oxidanylidene-heptanoate

Systemtic Name: methyl (4S,5R)-4-(4-chlorophenyl)-5-methanoyl-6-methyl-2-oxidanylidene-heptanoate Openeye Name: methyl (4S,5R)-4-(4-chlorophenyl)-5-formyl-6-methyl-2-oxo-heptanoate CAS Name: (4S,5R)-4-(4-chlorophenyl)-5-formyl-6-methyl-2-oxoheptanoic acid methyl ester IUPAC Name: methyl (4S,5R)-4-(4-chlorophenyl)-5-formyl-6-methyl-2-oxoheptanoate Traditional Name: (4S,5R)-4-(4-chlorophenyl)-5-formyl-2-keto-6-methyl-enanthic acid methyl ester Formula: C16H19ClO4 MolecularWeight: 310.77266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C=O)C(CC(=O)C(=O)OC)C1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)[C@@H](C=O)[C@H](CC(=O)C(=O)OC)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C16H19ClO4/c1-10(2)14(9-18)13(8-15(19)16(20)21-3)11-4-6-12(17)7-5-11/h4-7,9-10,13-14H,8H2,1-3H3/t13-,14-/m1/s1