1,3-benzodioxol-5-ylmethyl 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid piperonyl ester Formula: C18H18O6S MolecularWeight: 362.39692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H18O6S/c1-13-2-5-15(6-3-13)25(20,21)9-8-18(19)22-11-14-4-7-16-17(10-14)24-12-23-16/h2-7,10H,8-9,11-12H2,1H3