3,5-bis(methoxycarbonyl)benzenesulfonate; butylphosphanium

Systemtic Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; butylphosphanium Openeye Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; butylphosphonium CAS Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; butylphosphonium IUPAC Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; butylphosphanium Traditional Name: butylphosphonium; 3,5-dicarbomethoxybesylate Formula: C14H21O7PS MolecularWeight: 364.351101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[PH3+].COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC

Isomeric SMILES

CCCC[PH3+].COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC

InChI

InChI=1S/C10H10O7S.C4H11P/c1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15;1-2-3-4-5/h3-5H,1-2H3,(H,13,14,15);2-5H2,1H3