2-(4-hexoxyphenyl)carbonyloxybenzenesulfonic acid

Systemtic Name: 2-(4-hexoxyphenyl)carbonyloxybenzenesulfonic acid Openeye Name: 2-(4-hexoxybenzoyl)oxybenzenesulfonic acid CAS Name: 2-[(4-hexoxyphenyl)-oxomethoxy]benzenesulfonic acid IUPAC Name: 2-(4-hexoxybenzoyl)oxybenzenesulfonic acid Traditional Name: 2-(4-hexoxybenzoyl)oxybesylic acid Formula: C19H22O6S MolecularWeight: 378.43938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2S(=O)(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2S(=O)(=O)O

InChI

InChI=1S/C19H22O6S/c1-2-3-4-7-14-24-16-12-10-15(11-13-16)19(20)25-17-8-5-6-9-18(17)26(21,22)23/h5-6,8-13H,2-4,7,14H2,1H3,(H,21,22,23)