2-(1,3-benzodioxol-5-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(1,3-benzodioxol-5-yl)ethyl ester IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid homopiperonyl ester Formula: C16H16O5S MolecularWeight: 320.36024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H16O5S/c1-12-2-5-14(6-3-12)22(17,18)21-9-8-13-4-7-15-16(10-13)20-11-19-15/h2-7,10H,8-9,11H2,1H3