2-chloranylhexyl(triphenyl)phosphanium; 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate

Systemtic Name: 2-chloranylhexyl(triphenyl)phosphanium; 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate Openeye Name: 2-chlorohexyl(triphenyl)phosphonium; 3,5-ditert-butyl-4-hydroxy-benzenesulfonate CAS Name: 2-chlorohexyl(triphenyl)phosphonium; 3,5-ditert-butyl-4-hydroxybenzenesulfonate IUPAC Name: 2-chlorohexyl(triphenyl)phosphanium; 3,5-ditert-butyl-4-hydroxybenzenesulfonate Traditional Name: 2-chlorohexyl(triphenyl)phosphonium; 3,5-ditert-butyl-4-hydroxy-besylate Formula: C38H48ClO4PS MolecularWeight: 667.277081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)Cl.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S(=O)(=O)[O-]

Isomeric SMILES

CCCCC(C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)Cl.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S(=O)(=O)[O-]

InChI

InChI=1S/C24H27ClP.C14H22O4S/c1-2-3-13-21(25)20-26(22-14-7-4-8-15-22,23-16-9-5-10-17-23)24-18-11-6-12-19-24;1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6/h4-12,14-19,21H,2-3,13,20H2,1H3;7-8,15H,1-6H3,(H,16,17,18)/q+1;/p-1