5-methoxy-2-(3-sulfopropoxy)benzenesulfonic acid

Systemtic Name: 5-methoxy-2-(3-sulfopropoxy)benzenesulfonic acid Openeye Name: 5-methoxy-2-(3-sulfopropoxy)benzenesulfonic acid CAS Name: 5-methoxy-2-(3-sulfopropoxy)benzenesulfonic acid IUPAC Name: 5-methoxy-2-(3-sulfopropoxy)benzenesulfonic acid Traditional Name: 5-methoxy-2-(3-sulfopropoxy)besylic acid Formula: C10H14O8S2 MolecularWeight: 326.34336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCCCS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OCCCS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C10H14O8S2/c1-17-8-3-4-9(10(7-8)20(14,15)16)18-5-2-6-19(11,12)13/h3-4,7H,2,5-6H2,1H3,(H,11,12,13)(H,14,15,16)