[3-[[3-(2-acetyloxy-3-ethoxy-propoxy)phenyl]amino]-3-oxidanylidene-propyl]-dimethyl-sulfanium; 4-methylbenzenesulfonate

Systemtic Name: [3-[[3-(2-acetyloxy-3-ethoxy-propoxy)phenyl]amino]-3-oxidanylidene-propyl]-dimethyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: [3-[3-(2-acetoxy-3-ethoxy-propoxy)anilino]-3-oxo-propyl]-dimethyl-sulfonium; 4-methylbenzenesulfonate CAS Name: [3-[3-(2-acetyloxy-3-ethoxypropoxy)anilino]-3-oxopropyl]-dimethylsulfonium; 4-methylbenzenesulfonate IUPAC Name: [3-[3-(2-acetyloxy-3-ethoxypropoxy)anilino]-3-oxopropyl]-dimethylsulfanium; 4-methylbenzenesulfonate Traditional Name: [3-[3-(2-acetoxy-3-ethoxy-propoxy)anilino]-3-keto-propyl]-dimethyl-sulfonium tosylate Formula: C25H35NO8S2 MolecularWeight: 541.6773

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(COC1=CC=CC(=C1)NC(=O)CC[S+](C)C)OC(=O)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCOCC(COC1=CC=CC(=C1)NC(=O)CC[S+](C)C)OC(=O)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C18H27NO5S.C7H8O3S/c1-5-22-12-17(24-14(2)20)13-23-16-8-6-7-15(11-16)19-18(21)9-10-25(3)4;1-6-2-4-7(5-3-6)11(8,9)10/h6-8,11,17H,5,9-10,12-13H2,1-4H3;2-5H,1H3,(H,8,9,10)