4,8-bis(oxidanyl)naphthalene-1-sulfonate; tributyl-(phenylmethyl)azanium

Systemtic Name: 4,8-bis(oxidanyl)naphthalene-1-sulfonate; tributyl-(phenylmethyl)azanium Openeye Name: benzyl(tributyl)ammonium; 4,8-dihydroxynaphthalene-1-sulfonate CAS Name: 4,8-dihydroxy-1-naphthalenesulfonate; tributyl-(phenylmethyl)ammonium IUPAC Name: benzyl(tributyl)azanium; 4,8-dihydroxynaphthalene-1-sulfonate Traditional Name: benzyl(tributyl)ammonium; 4,8-dihydroxynaphthalene-1-sulfonate 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=CC2=C(C=CC(=C2C(=C1)O)S(=O)(=O)[O-])O

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1.C1=CC2=C(C=CC(=C2C(=C1)O)S(=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;11-7-4-5-9(16(13,14)15)10-6(7)2-1-3-8(10)12/h10-14H,4-9,15-18H2,1-3H3;1-5,11-12H,(H,13,14,15)/q+1;/p-1