4-methyl-2-(oxolan-2-ylmethyl)benzenesulfonic acid

Systemtic Name: 4-methyl-2-(oxolan-2-ylmethyl)benzenesulfonic acid Openeye Name: 4-methyl-2-(tetrahydrofuran-2-ylmethyl)benzenesulfonic acid CAS Name: 4-methyl-2-(2-oxolanylmethyl)benzenesulfonic acid IUPAC Name: 4-methyl-2-(oxolan-2-ylmethyl)benzenesulfonic acid Traditional Name: 4-methyl-2-(tetrahydrofurfuryl)besylic acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)CC2CCCO2

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)CC2CCCO2

InChI

InChI=1S/C12H16O4S/c1-9-4-5-12(17(13,14)15)10(7-9)8-11-3-2-6-16-11/h4-5,7,11H,2-3,6,8H2,1H3,(H,13,14,15)