4-oxidanylnaphthalene-1-sulfonoperoxoate; tributyl-(phenylmethyl)azanium

Systemtic Name: 4-oxidanylnaphthalene-1-sulfonoperoxoate; tributyl-(phenylmethyl)azanium Openeye Name: benzyl(tributyl)ammonium; 4-hydroxynaphthalene-1-sulfonoperoxoate CAS Name: 4-hydroxy-1-naphthalenesulfonoperoxoate; tributyl-(phenylmethyl)ammonium IUPAC Name: benzyl(tributyl)azanium; 4-hydroxynaphthalene-1-sulfonoperoxoate Traditional Name: benzyl(tributyl)ammonium; 4-hydroxynaphthalene-1-sulfonoperoxoate Formula: C29H41NO5S MolecularWeight: 515.70454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1.C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O[O-])O

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1.C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O[O-])O

InChI

InChI=1S/C19H34N.C10H8O5S/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;11-9-5-6-10(16(13,14)15-12)8-4-2-1-3-7(8)9/h10-14H,4-9,15-18H2,1-3H3;1-6,11-12H/q+1;/p-1