(7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C19H17ClO8S MolecularWeight: 440.85148

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C19H17ClO8S/c20-14-7-12(8-17-19(14)28-11-27-17)10-26-18(21)3-6-29(22,23)13-1-2-15-16(9-13)25-5-4-24-15/h1-2,7-9H,3-6,10-11H2