2-[(2,2-dimethyl-1,3-dioxol-4-yl)methyl]-4-methyl-benzenesulfonic acid

Systemtic Name: 2-[(2,2-dimethyl-1,3-dioxol-4-yl)methyl]-4-methyl-benzenesulfonic acid Openeye Name: 2-[(2,2-dimethyl-1,3-dioxol-4-yl)methyl]-4-methyl-benzenesulfonic acid CAS Name: 2-[(2,2-dimethyl-1,3-dioxol-4-yl)methyl]-4-methylbenzenesulfonic acid IUPAC Name: 2-[(2,2-dimethyl-1,3-dioxol-4-yl)methyl]-4-methylbenzenesulfonic acid Traditional Name: 2-[(2,2-dimethyl-1,3-dioxol-4-yl)methyl]-4-methyl-besylic acid Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)CC2=COC(O2)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)CC2=COC(O2)(C)C

InChI

InChI=1S/C13H16O5S/c1-9-4-5-12(19(14,15)16)10(6-9)7-11-8-17-13(2,3)18-11/h4-6,8H,7H2,1-3H3,(H,14,15,16)