4,6-bis(oxidanyl)naphthalene-2-sulfonate; trimethyl(octadecyl)azanium

Systemtic Name: 4,6-bis(oxidanyl)naphthalene-2-sulfonate; trimethyl(octadecyl)azanium Openeye Name: 4,6-dihydroxynaphthalene-2-sulfonate; trimethyl(octadecyl)ammonium CAS Name: 4,6-dihydroxy-2-naphthalenesulfonate; trimethyl(octadecyl)ammonium IUPAC Name: 4,6-dihydroxynaphthalene-2-sulfonate; trimethyl(octadecyl)azanium Traditional Name: 4,6-dihydroxynaphthalene-2-sulfonate; trimethyl(stearyl)ammonium Formula: C31H53NO5S MolecularWeight: 551.82122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H46N.C10H8O5S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7/h5-21H2,1-4H3;1-5,11-12H,(H,13,14,15)/q+1;/p-1