methyl 6-iodanyl-4-(4-methylphenyl)sulfonyloxy-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl 6-iodanyl-4-(4-methylphenyl)sulfonyloxy-1,3-benzodioxole-5-carboxylate Openeye Name: methyl 6-iodo-4-(p-tolylsulfonyloxy)-1,3-benzodioxole-5-carboxylate CAS Name: 6-iodo-4-(4-methylphenyl)sulfonyloxy-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl 6-iodo-4-(4-methylphenyl)sulfonyloxy-1,3-benzodioxole-5-carboxylate Traditional Name: 6-iodo-4-tosyloxy-piperonylic acid methyl ester Formula: C16H13IO7S MolecularWeight: 476.23969

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=C2C(=O)OC)I)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=C2C(=O)OC)I)OCO3

InChI

InChI=1S/C16H13IO7S/c1-9-3-5-10(6-4-9)25(19,20)24-15-13(16(18)21-2)11(17)7-12-14(15)23-8-22-12/h3-7H,8H2,1-2H3