dimethyl(octadecyl)azanium; naphthalene-1,5-disulfonate

Systemtic Name: dimethyl(octadecyl)azanium; naphthalene-1,5-disulfonate Openeye Name: dimethyl(octadecyl)ammonium; naphthalene-1,5-disulfonate CAS Name: dimethyl(octadecyl)ammonium; naphthalene-1,5-disulfonate IUPAC Name: dimethyl(octadecyl)azanium; naphthalene-1,5-disulfonate Traditional Name: dimethyl(stearyl)ammonium; naphthalene-1,5-disulfonate Formula: C50H94N2O6S2 MolecularWeight: 883.42116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[NH+](C)C.CCCCCCCCCCCCCCCCCC[NH+](C)C.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[NH+](C)C.CCCCCCCCCCCCCCCCCC[NH+](C)C.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]

InChI

InChI=1S/2C20H43N.C10H8O6S2/c2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*4-20H2,1-3H3;1-6H,(H,11,12,13)(H,14,15,16)