4,6-bis(oxidanyl)naphthalene-2-sulfonate; dimethyl-bis(phenylmethyl)azanium

Systemtic Name: 4,6-bis(oxidanyl)naphthalene-2-sulfonate; dimethyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl(dimethyl)ammonium; 4,6-dihydroxynaphthalene-2-sulfonate CAS Name: 4,6-dihydroxy-2-naphthalenesulfonate; dimethyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl(dimethyl)azanium; 4,6-dihydroxynaphthalene-2-sulfonate Traditional Name: dibenzyl(dimethyl)ammonium; 4,6-dihydroxynaphthalene-2-sulfonate Formula: C26H27NO5S MolecularWeight: 465.56128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1=CC=CC=C1)CC2=CC=CC=C2.C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)[O-])O)O

Isomeric SMILES

C[N+](C)(CC1=CC=CC=C1)CC2=CC=CC=C2.C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)[O-])O)O

InChI

InChI=1S/C16H20N.C10H8O5S/c1-17(2,13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16;11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7/h3-12H,13-14H2,1-2H3;1-5,11-12H,(H,13,14,15)/q+1;/p-1