4-methylbenzenesulfonate; methyl-bis(3-oxidanylpropyl)-phenyl-phosphanium

Systemtic Name: 4-methylbenzenesulfonate; methyl-bis(3-oxidanylpropyl)-phenyl-phosphanium Openeye Name: bis(3-hydroxypropyl)-methyl-phenyl-phosphonium; 4-methylbenzenesulfonate CAS Name: bis(3-hydroxypropyl)-methyl-phenylphosphonium; 4-methylbenzenesulfonate IUPAC Name: bis(3-hydroxypropyl)-methyl-phenylphosphanium; 4-methylbenzenesulfonate Traditional Name: bis(3-hydroxypropyl)-methyl-phenyl-phosphonium tosylate Formula: C20H29O5PS MolecularWeight: 412.480021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[P+](CCCO)(CCCO)C1=CC=CC=C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[P+](CCCO)(CCCO)C1=CC=CC=C1

InChI

InChI=1S/C13H22O2P.C7H8O3S/c1-16(11-5-9-14,12-6-10-15)13-7-3-2-4-8-13;1-6-2-4-7(5-3-6)11(8,9)10/h2-4,7-8,14-15H,5-6,9-12H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1