2-[3-(methoxymethyl)-2-methyl-4-methylsulfonyl-phenyl]carbonylthian-3-one

Systemtic Name: 2-[3-(methoxymethyl)-2-methyl-4-methylsulfonyl-phenyl]carbonylthian-3-one Openeye Name: 2-[3-(methoxymethyl)-2-methyl-4-methylsulfonyl-benzoyl]tetrahydrothiopyran-3-one CAS Name: 2-[[3-(methoxymethyl)-2-methyl-4-methylsulfonylphenyl]-oxomethyl]-3-thianone IUPAC Name: 2-[3-(methoxymethyl)-2-methyl-4-methylsulfonylbenzoyl]thian-3-one Traditional Name: 2-[4-mesyl-3-(methoxymethyl)-2-methyl-benzoyl]tetrahydrothiopyran-3-one Formula: C16H20O5S2 MolecularWeight: 356.457

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1COC)S(=O)(=O)C)C(=O)C2C(=O)CCCS2

Isomeric SMILES

CC1=C(C=CC(=C1COC)S(=O)(=O)C)C(=O)C2C(=O)CCCS2

InChI

InChI=1S/C16H20O5S2/c1-10-11(15(18)16-13(17)5-4-8-22-16)6-7-14(23(3,19)20)12(10)9-21-2/h6-7,16H,4-5,8-9H2,1-3H3