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

Systemtic Name: [6-(methoxycarbonylamino)-5-oxidanyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [5-hydroxy-6-(methoxycarbonylamino)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-hydroxy-6-(methoxycarbonylamino)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester IUPAC Name: [5-hydroxy-6-(methoxycarbonylamino)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-(carbomethoxyamino)-5-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester Formula: C18H19NO8S MolecularWeight: 409.41036

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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)NC(=O)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO8S/c1-11-3-5-13(6-4-11)28(22,23)26-10-12-9-25-15-8-7-14(19-18(21)24-2)16(20)17(15)27-12/h3-8,12,20H,9-10H2,1-2H3,(H,19,21)