(5-azanyl-2-methoxy-6-methyl-4-oxidanyl-oxan-3-yl) 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid

Systemtic Name: (5-azanyl-2-methoxy-6-methyl-4-oxidanyl-oxan-3-yl) 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid Openeye Name: (5-amino-4-hydroxy-2-methoxy-6-methyl-tetrahydropyran-3-yl) 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; 4-methylbenzenesulfonic acid (5-amino-4-hydroxy-2-methoxy-6-methyl-3-oxanyl) ester IUPAC Name: (5-amino-4-hydroxy-2-methoxy-6-methyloxan-3-yl) 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid Traditional Name: 4-methylbenzenesulfonic acid (5-amino-4-hydroxy-2-methoxy-6-methyl-tetrahydropyran-3-yl) ester; tosylic acid Formula: C21H29NO9S2 MolecularWeight: 503.58626

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC)OS(=O)(=O)C2=CC=C(C=C2)C)O)N.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1C(C(C(C(O1)OC)OS(=O)(=O)C2=CC=C(C=C2)C)O)N.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C14H21NO6S.C7H8O3S/c1-8-4-6-10(7-5-8)22(17,18)21-13-12(16)11(15)9(2)20-14(13)19-3;1-6-2-4-7(5-3-6)11(8,9)10/h4-7,9,11-14,16H,15H2,1-3H3;2-5H,1H3,(H,8,9,10)