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

Systemtic Name: [3-[[4-(3-cyclohexyloxy-2-oxidanyl-propoxy)phenyl]amino]-3-oxidanylidene-propyl]-dimethyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: [3-[4-[3-(cyclohexoxy)-2-hydroxy-propoxy]anilino]-3-oxo-propyl]-dimethyl-sulfonium; 4-methylbenzenesulfonate CAS Name: [3-[4-(3-cyclohexyloxy-2-hydroxypropoxy)anilino]-3-oxopropyl]-dimethylsulfonium; 4-methylbenzenesulfonate IUPAC Name: [3-[4-(3-cyclohexyloxy-2-hydroxypropoxy)anilino]-3-oxopropyl]-dimethylsulfanium; 4-methylbenzenesulfonate Traditional Name: [3-[4-[3-(cyclohexoxy)-2-hydroxy-propoxy]anilino]-3-keto-propyl]-dimethyl-sulfonium tosylate Formula: C27H39NO7S2 MolecularWeight: 553.73106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](C)CCC(=O)NC1=CC=C(C=C1)OCC(COC2CCCCC2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](C)CCC(=O)NC1=CC=C(C=C1)OCC(COC2CCCCC2)O

InChI

InChI=1S/C20H31NO4S.C7H8O3S/c1-26(2)13-12-20(23)21-16-8-10-19(11-9-16)25-15-17(22)14-24-18-6-4-3-5-7-18;1-6-2-4-7(5-3-6)11(8,9)10/h8-11,17-18,22H,3-7,12-15H2,1-2H3;2-5H,1H3,(H,8,9,10)