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

Systemtic Name: dimethyl-[3-oxidanylidene-3-[[4-(2-oxidanyl-3-propoxy-propoxy)phenyl]amino]propyl]sulfanium; 4-methylbenzenesulfonate Openeye Name: [3-[4-(2-hydroxy-3-propoxy-propoxy)anilino]-3-oxo-propyl]-dimethyl-sulfonium; 4-methylbenzenesulfonate CAS Name: [3-[4-(2-hydroxy-3-propoxypropoxy)anilino]-3-oxopropyl]-dimethylsulfonium; 4-methylbenzenesulfonate IUPAC Name: [3-[4-(2-hydroxy-3-propoxypropoxy)anilino]-3-oxopropyl]-dimethylsulfanium; 4-methylbenzenesulfonate Traditional Name: [3-[4-(2-hydroxy-3-propoxy-propoxy)anilino]-3-keto-propyl]-dimethyl-sulfonium tosylate Formula: C24H35NO7S2 MolecularWeight: 513.6672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO4S.C7H8O3S/c1-4-10-21-12-15(19)13-22-16-7-5-14(6-8-16)18-17(20)9-11-23(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h5-8,15,19H,4,9-13H2,1-3H3;2-5H,1H3,(H,8,9,10)