2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-methyl-benzenesulfonic acid

Systemtic Name: 2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-methyl-benzenesulfonic acid Openeye Name: 2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-methyl-benzenesulfonic acid CAS Name: 2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-methylbenzenesulfonic acid IUPAC Name: 2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-methylbenzenesulfonic acid Traditional Name: 2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-methyl-besylic acid Formula: C17H18O6S MolecularWeight: 350.38622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)CC2COC3=C(O2)C(=CC=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)CC2COC3=C(O2)C(=CC=C3)OC

InChI

InChI=1S/C17H18O6S/c1-11-6-7-16(24(18,19)20)12(8-11)9-13-10-22-15-5-3-4-14(21-2)17(15)23-13/h3-8,13H,9-10H2,1-2H3,(H,18,19,20)