4-oxidanyl-5-(phenylcarbonyl)-2-propoxy-benzenesulfonic acid

Systemtic Name: 4-oxidanyl-5-(phenylcarbonyl)-2-propoxy-benzenesulfonic acid Openeye Name: 5-benzoyl-4-hydroxy-2-propoxy-benzenesulfonic acid CAS Name: 5-benzoyl-4-hydroxy-2-propoxybenzenesulfonic acid IUPAC Name: 5-benzoyl-4-hydroxy-2-propoxybenzenesulfonic acid Traditional Name: 5-benzoyl-4-hydroxy-2-propoxy-besylic acid Formula: C16H16O6S MolecularWeight: 336.35964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CCCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C16H16O6S/c1-2-8-22-14-10-13(17)12(9-15(14)23(19,20)21)16(18)11-6-4-3-5-7-11/h3-7,9-10,17H,2,8H2,1H3,(H,19,20,21)