2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methyl-benzenesulfonic acid

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methyl-benzenesulfonic acid Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methyl-benzenesulfonic acid CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylbenzenesulfonic acid IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylbenzenesulfonic acid Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methyl-besylic acid Formula: C16H16O5S MolecularWeight: 320.36024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)CC2COC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)CC2COC3=CC=CC=C3O2

InChI

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