dimethylazanium; (E)-5-methoxy-4-methoxycarbonyl-5-oxidanylidene-1-phenyl-pent-1-ene-3-sulfonate

Systemtic Name: dimethylazanium; (E)-5-methoxy-4-methoxycarbonyl-5-oxidanylidene-1-phenyl-pent-1-ene-3-sulfonate Openeye Name: dimethylammonium; (E)-5-methoxy-4-methoxycarbonyl-5-oxo-1-phenyl-pent-1-ene-3-sulfonate CAS Name: dimethylammonium; (E)-5-methoxy-4-methoxycarbonyl-5-oxo-1-phenyl-1-pentene-3-sulfonate IUPAC Name: dimethylazanium; (E)-5-methoxy-4-methoxycarbonyl-5-oxo-1-phenylpent-1-ene-3-sulfonate Traditional Name: (E)-4-carbomethoxy-5-keto-5-methoxy-1-phenyl-pent-1-ene-3-sulfonate; dimethylammonium Formula: C16H23NO7S MolecularWeight: 373.42132

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C.COC(=O)C(C(C=CC1=CC=CC=C1)S(=O)(=O)[O-])C(=O)OC

Isomeric SMILES

C[NH2+]C.COC(=O)C(C(/C=C/C1=CC=CC=C1)S(=O)(=O)[O-])C(=O)OC

InChI

InChI=1S/C14H16O7S.C2H7N/c1-20-13(15)12(14(16)21-2)11(22(17,18)19)9-8-10-6-4-3-5-7-10;1-3-2/h3-9,11-12H,1-2H3,(H,17,18,19);3H,1-2H3/b9-8+;