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

Systemtic Name: [5-methanoyl-6-(methoxycarbonylamino)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [5-formyl-6-(methoxycarbonylamino)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-formyl-6-(methoxycarbonylamino)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester IUPAC Name: [5-formyl-6-(methoxycarbonylamino)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-(carbomethoxyamino)-5-formyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester Formula: C19H19NO8S MolecularWeight: 421.42106

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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)C=O

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO8S/c1-12-3-5-14(6-4-12)29(23,24)27-11-13-10-26-17-8-7-16(20-19(22)25-2)15(9-21)18(17)28-13/h3-9,13H,10-11H2,1-2H3,(H,20,22)