4-methyl-2-[(2,2,4-trimethyl-1,3-dioxolan-4-yl)methyl]benzenesulfonic acid

Systemtic Name: 4-methyl-2-[(2,2,4-trimethyl-1,3-dioxolan-4-yl)methyl]benzenesulfonic acid Openeye Name: 4-methyl-2-[(2,2,4-trimethyl-1,3-dioxolan-4-yl)methyl]benzenesulfonic acid CAS Name: 4-methyl-2-[(2,2,4-trimethyl-1,3-dioxolan-4-yl)methyl]benzenesulfonic acid IUPAC Name: 4-methyl-2-[(2,2,4-trimethyl-1,3-dioxolan-4-yl)methyl]benzenesulfonic acid Traditional Name: 4-methyl-2-[(2,2,4-trimethyl-1,3-dioxolan-4-yl)methyl]besylic acid Formula: C14H20O5S MolecularWeight: 300.3706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O5S/c1-10-5-6-12(20(15,16)17)11(7-10)8-14(4)9-18-13(2,3)19-14/h5-7H,8-9H2,1-4H3,(H,15,16,17)