naphthalene-1,5-disulfonate; tributyl-[(4-methylphenyl)methyl]azanium

Systemtic Name: naphthalene-1,5-disulfonate; tributyl-[(4-methylphenyl)methyl]azanium Openeye Name: naphthalene-1,5-disulfonate; tributyl(p-tolylmethyl)ammonium CAS Name: naphthalene-1,5-disulfonate; tributyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: naphthalene-1,5-disulfonate; tributyl-[(4-methylphenyl)methyl]azanium Traditional Name: naphthalene-1,5-disulfonate; tributyl-(4-methylbenzyl)ammonium Formula: C50H78N2O6S2 MolecularWeight: 867.29412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C20H36N.C10H8O6S2/c2*1-5-8-15-21(16-9-6-2,17-10-7-3)18-20-13-11-19(4)12-14-20;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*11-14H,5-10,15-18H2,1-4H3;1-6H,(H,11,12,13)(H,14,15,16)/q2*+1;/p-2