(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H21ClO6S MolecularWeight: 448.91654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl)C(C)C

InChI

InChI=1S/C22H21ClO6S/c1-12(2)16-10-17-14(8-21(24)29-20(17)7-13(16)3)11-28-22(25)18-9-15(30(4,26)27)5-6-19(18)23/h5-10,12H,11H2,1-4H3