(6-azanyl-5-oxidanyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (6-azanyl-5-oxidanyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate Openeye Name: (6-amino-5-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-amino-5-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl ester IUPAC Name: (6-amino-5-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-amino-5-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl ester Formula: C16H17NO6S MolecularWeight: 351.37428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)C(=C(C=C3)N)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)C(=C(C=C3)N)O

InChI

InChI=1S/C16H17NO6S/c1-10-2-4-12(5-3-10)24(19,20)22-9-11-8-21-14-7-6-13(17)15(18)16(14)23-11/h2-7,11,18H,8-9,17H2,1H3