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

Systemtic Name: naphthalene-1,5-disulfonate; trimethyl(octadecyl)azanium Openeye Name: naphthalene-1,5-disulfonate; trimethyl(octadecyl)ammonium CAS Name: naphthalene-1,5-disulfonate; trimethyl(octadecyl)ammonium IUPAC Name: naphthalene-1,5-disulfonate; trimethyl(octadecyl)azanium Traditional Name: naphthalene-1,5-disulfonate; trimethyl(stearyl)ammonium Formula: C52H98N2O6S2 MolecularWeight: 911.47432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C21H46N.C10H8O6S2/c2*1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*5-21H2,1-4H3;1-6H,(H,11,12,13)(H,14,15,16)/q2*+1;/p-2