3-[1-(1,4-benzodioxin-5-yl)propyl]-4-methyl-benzenesulfonate

Systemtic Name: 3-[1-(1,4-benzodioxin-5-yl)propyl]-4-methyl-benzenesulfonate Openeye Name: 3-[1-(1,4-benzodioxin-5-yl)propyl]-4-methyl-benzenesulfonate CAS Name: 3-[1-(1,4-benzodioxin-5-yl)propyl]-4-methylbenzenesulfonate IUPAC Name: 3-[1-(1,4-benzodioxin-5-yl)propyl]-4-methylbenzenesulfonate Traditional Name: 3-[1-(1,4-benzodioxin-5-yl)propyl]-4-methyl-besylate Formula: C18H17O5S- MolecularWeight: 345.38958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C2C(=CC=C1)OC=CO2)C3=C(C=CC(=C3)S(=O)(=O)[O-])C

Isomeric SMILES

CCC(C1=C2C(=CC=C1)OC=CO2)C3=C(C=CC(=C3)S(=O)(=O)[O-])C

InChI

InChI=1S/C18H18O5S/c1-3-14(15-5-4-6-17-18(15)23-10-9-22-17)16-11-13(24(19,20)21)8-7-12(16)2/h4-11,14H,3H2,1-2H3,(H,19,20,21)/p-1