(4-methylphenyl)methyl-trioctyl-azanium; naphthalene-1,5-disulfonate

Systemtic Name: (4-methylphenyl)methyl-trioctyl-azanium; naphthalene-1,5-disulfonate Openeye Name: naphthalene-1,5-disulfonate; trioctyl(p-tolylmethyl)ammonium CAS Name: (4-methylphenyl)methyl-trioctylammonium; naphthalene-1,5-disulfonate IUPAC Name: (4-methylphenyl)methyl-trioctylazanium; naphthalene-1,5-disulfonate Traditional Name: (4-methylbenzyl)-trioctyl-ammonium; naphthalene-1,5-disulfonate Formula: C74H126N2O6S2 MolecularWeight: 1203.93204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CC1=CC=C(C=C1)C.CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CC1=CC=C(C=C1)C.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CC1=CC=C(C=C1)C.CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CC1=CC=C(C=C1)C.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]

InChI

InChI=1S/2C32H60N.C10H8O6S2/c2*1-5-8-11-14-17-20-27-33(28-21-18-15-12-9-6-2,29-22-19-16-13-10-7-3)30-32-25-23-31(4)24-26-32;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*23-26H,5-22,27-30H2,1-4H3;1-6H,(H,11,12,13)(H,14,15,16)/q2*+1;/p-2