naphthalene-1,5-disulfonate; trimethyl-[2-(2-methyl-2-oxidanyl-3-oxidanylidene-butanoyl)oxyethyl]azanium

Systemtic Name: naphthalene-1,5-disulfonate; trimethyl-[2-(2-methyl-2-oxidanyl-3-oxidanylidene-butanoyl)oxyethyl]azanium Openeye Name: 2-(2-hydroxy-2-methyl-3-oxo-butanoyl)oxyethyl-trimethyl-ammonium; naphthalene-1,5-disulfonate CAS Name: 2-(2-hydroxy-2-methyl-1,3-dioxobutoxy)ethyl-trimethylammonium; naphthalene-1,5-disulfonate IUPAC Name: 2-(2-hydroxy-2-methyl-3-oxobutanoyl)oxyethyl-trimethylazanium; naphthalene-1,5-disulfonate Traditional Name: 2-(2-hydroxy-3-keto-2-methyl-butanoyl)oxyethyl-trimethyl-ammonium; naphthalene-1,5-disulfonate Formula: C30H46N2O14S2 MolecularWeight: 722.82124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H20NO4.C10H8O6S2/c2*1-8(12)10(2,14)9(13)15-7-6-11(3,4)5;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*14H,6-7H2,1-5H3;1-6H,(H,11,12,13)(H,14,15,16)/q2*+1;/p-2