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

Systemtic Name: [3-[[4-(2,3-diethoxypropoxy)phenyl]amino]-3-oxidanylidene-propyl]-dimethyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: [3-[4-(2,3-diethoxypropoxy)anilino]-3-oxo-propyl]-dimethyl-sulfonium; 4-methylbenzenesulfonate CAS Name: [3-[4-(2,3-diethoxypropoxy)anilino]-3-oxopropyl]-dimethylsulfonium; 4-methylbenzenesulfonate IUPAC Name: [3-[4-(2,3-diethoxypropoxy)anilino]-3-oxopropyl]-dimethylsulfanium; 4-methylbenzenesulfonate Traditional Name: [3-[4-(2,3-diethoxypropoxy)anilino]-3-keto-propyl]-dimethyl-sulfonium tosylate Formula: C25H37NO7S2 MolecularWeight: 527.69378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO4S.C7H8O3S/c1-5-21-13-17(22-6-2)14-23-16-9-7-15(8-10-16)19-18(20)11-12-24(3)4;1-6-2-4-7(5-3-6)11(8,9)10/h7-10,17H,5-6,11-14H2,1-4H3;2-5H,1H3,(H,8,9,10)