1-(3,4-dimethoxy-5-methyl-phenyl)-2-(2-methoxy-4,6-dimethyl-phenoxy)propane-1-sulfonic acid

Systemtic Name: 1-(3,4-dimethoxy-5-methyl-phenyl)-2-(2-methoxy-4,6-dimethyl-phenoxy)propane-1-sulfonic acid Openeye Name: 1-(3,4-dimethoxy-5-methyl-phenyl)-2-(2-methoxy-4,6-dimethyl-phenoxy)propane-1-sulfonic acid CAS Name: 1-(3,4-dimethoxy-5-methylphenyl)-2-(2-methoxy-4,6-dimethylphenoxy)-1-propanesulfonic acid IUPAC Name: 1-(3,4-dimethoxy-5-methylphenyl)-2-(2-methoxy-4,6-dimethylphenoxy)propane-1-sulfonic acid Traditional Name: 1-(3,4-dimethoxy-5-methyl-phenyl)-2-(2-methoxy-4,6-dimethyl-phenoxy)propane-1-sulfonic acid Formula: C21H28O7S MolecularWeight: 424.50782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC)OC(C)C(C2=CC(=C(C(=C2)OC)OC)C)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC)OC(C)C(C2=CC(=C(C(=C2)OC)OC)C)S(=O)(=O)O)C

InChI

InChI=1S/C21H28O7S/c1-12-8-13(2)20(17(9-12)25-5)28-15(4)21(29(22,23)24)16-10-14(3)19(27-7)18(11-16)26-6/h8-11,15,21H,1-7H3,(H,22,23,24)