1-[3,4-diethanoyl-6-isothiocyanato-5-[(4-methylphenyl)methylsulfonyl]-3,4-bis(oxidanyl)oxan-2-yl]-1-oxidanyl-propan-2-one

Systemtic Name: 1-[3,4-diethanoyl-6-isothiocyanato-5-[(4-methylphenyl)methylsulfonyl]-3,4-bis(oxidanyl)oxan-2-yl]-1-oxidanyl-propan-2-one Openeye Name: 1-[3,4-diacetyl-3,4-dihydroxy-6-isothiocyanato-5-(p-tolylmethylsulfonyl)tetrahydropyran-2-yl]-1-hydroxy-propan-2-one CAS Name: 1-[3,4-diacetyl-3,4-dihydroxy-6-isothiocyanato-5-[(4-methylphenyl)methylsulfonyl]-2-oxanyl]-1-hydroxy-2-propanone IUPAC Name: 1-[3,4-diacetyl-3,4-dihydroxy-6-isothiocyanato-5-[(4-methylphenyl)methylsulfonyl]oxan-2-yl]-1-hydroxypropan-2-one Traditional Name: 1-[3,4-diacetyl-3,4-dihydroxy-6-isothiocyanato-5-(4-methylbenzyl)sulfonyl-tetrahydropyran-2-yl]-1-hydroxy-acetone Formula: C21H25NO9S2 MolecularWeight: 499.5545

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)C2C(OC(C(C2(C(=O)C)O)(C(=O)C)O)C(C(=O)C)O)N=C=S

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)C2C(OC(C(C2(C(=O)C)O)(C(=O)C)O)C(C(=O)C)O)N=C=S

InChI

InChI=1S/C21H25NO9S2/c1-11-5-7-15(8-6-11)9-33(29,30)18-19(22-10-32)31-17(16(26)12(2)23)20(27,13(3)24)21(18,28)14(4)25/h5-8,16-19,26-28H,9H2,1-4H3