(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic 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 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H21NO8S MolecularWeight: 459.46904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C22H21NO8S/c1-12(2)16-10-17-15(9-21(24)31-19(17)7-13(16)3)11-30-22(25)14-5-6-20(32(4,28)29)18(8-14)23(26)27/h5-10,12H,11H2,1-4H3