2-(2-butanoyloxypropanoyloxy)ethyl-trimethyl-azanium; naphthalene-2,6-disulfonate

Systemtic Name: 2-(2-butanoyloxypropanoyloxy)ethyl-trimethyl-azanium; naphthalene-2,6-disulfonate Openeye Name: 2-(2-butanoyloxypropanoyloxy)ethyl-trimethyl-ammonium; naphthalene-2,6-disulfonate CAS Name: naphthalene-2,6-disulfonate; trimethyl-[2-[1-oxo-2-(1-oxobutoxy)propoxy]ethyl]ammonium IUPAC Name: 2-(2-butanoyloxypropanoyloxy)ethyl-trimethylazanium; naphthalene-2,6-disulfonate Traditional Name: 2-(2-butyryloxypropanoyloxy)ethyl-trimethyl-ammonium; naphthalene-2,6-disulfonate Formula: C34H54N2O14S2 MolecularWeight: 778.92756

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C)C(=O)OCC[N+](C)(C)C.CCCC(=O)OC(C)C(=O)OCC[N+](C)(C)C.C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C=C1S(=O)(=O)[O-]

Isomeric SMILES

CCCC(=O)OC(C)C(=O)OCC[N+](C)(C)C.CCCC(=O)OC(C)C(=O)OCC[N+](C)(C)C.C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C=C1S(=O)(=O)[O-]

InChI

InChI=1S/2C12H24NO4.C10H8O6S2/c2*1-6-7-11(14)17-10(2)12(15)16-9-8-13(3,4)5;11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h2*10H,6-9H2,1-5H3;1-6H,(H,11,12,13)(H,14,15,16)/q2*+1;/p-2