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

Systemtic Name: [3-[[3-(3-ethoxy-2-phenoxycarbonyloxy-propoxy)phenyl]amino]-3-oxidanylidene-propyl]-dimethyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: [3-[3-(3-ethoxy-2-phenoxycarbonyloxy-propoxy)anilino]-3-oxo-propyl]-dimethyl-sulfonium; 4-methylbenzenesulfonate CAS Name: [3-[3-[3-ethoxy-2-[oxo(phenoxy)methoxy]propoxy]anilino]-3-oxopropyl]-dimethylsulfonium; 4-methylbenzenesulfonate IUPAC Name: [3-[3-(3-ethoxy-2-phenoxycarbonyloxypropoxy)anilino]-3-oxopropyl]-dimethylsulfanium; 4-methylbenzenesulfonate Traditional Name: [3-[3-(2-carbophenoxyoxy-3-ethoxy-propoxy)anilino]-3-keto-propyl]-dimethyl-sulfonium tosylate Formula: C30H37NO9S2 MolecularWeight: 619.74608

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(COC1=CC=CC(=C1)NC(=O)CC[S+](C)C)OC(=O)OC2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCOCC(COC1=CC=CC(=C1)NC(=O)CC[S+](C)C)OC(=O)OC2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C23H29NO6S.C7H8O3S/c1-4-27-16-21(30-23(26)29-19-10-6-5-7-11-19)17-28-20-12-8-9-18(15-20)24-22(25)13-14-31(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h5-12,15,21H,4,13-14,16-17H2,1-3H3;2-5H,1H3,(H,8,9,10)