[5-azanyl-6-methoxy-3,4-bis(oxidanyl)oxan-2-yl]methyl 4-methylbenzenesulfonate hydrochloride

Systemtic Name: [5-azanyl-6-methoxy-3,4-bis(oxidanyl)oxan-2-yl]methyl 4-methylbenzenesulfonate hydrochloride Openeye Name: (5-amino-3,4-dihydroxy-6-methoxy-tetrahydropyran-2-yl)methyl 4-methylbenzenesulfonate hydrochloride CAS Name: 4-methylbenzenesulfonic acid (5-amino-3,4-dihydroxy-6-methoxy-2-oxanyl)methyl ester hydrochloride IUPAC Name: (5-amino-3,4-dihydroxy-6-methoxyoxan-2-yl)methyl 4-methylbenzenesulfonate hydrochloride Traditional Name: 4-methylbenzenesulfonic acid (5-amino-3,4-dihydroxy-6-methoxy-tetrahydropyran-2-yl)methyl ester hydrochloride Formula: C14H22ClNO7S MolecularWeight: 383.84498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(C(O2)OC)N)O)O.Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(C(O2)OC)N)O)O.Cl

InChI

InChI=1S/C14H21NO7S.ClH/c1-8-3-5-9(6-4-8)23(18,19)21-7-10-12(16)13(17)11(15)14(20-2)22-10;/h3-6,10-14,16-17H,7,15H2,1-2H3;1H