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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)but-2-ynyl 4-methylbenzenesulfonate Openeye Name: 4-(1,3-benzodioxol-5-yl)but-2-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-(1,3-benzodioxol-5-yl)but-2-ynyl ester IUPAC Name: 4-(1,3-benzodioxol-5-yl)but-2-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-(1,3-benzodioxol-5-yl)but-2-ynyl ester Formula: C18H16O5S MolecularWeight: 344.38164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC#CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC#CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H16O5S/c1-14-5-8-16(9-6-14)24(19,20)23-11-3-2-4-15-7-10-17-18(12-15)22-13-21-17/h5-10,12H,4,11,13H2,1H3