dimethyl-[3-(2,5,7,8-tetramethyl-6-oxidanyl-3,4-dihydrochromen-2-yl)propyl]sulfanium; 4-methylbenzenesulfonate

Systemtic Name: dimethyl-[3-(2,5,7,8-tetramethyl-6-oxidanyl-3,4-dihydrochromen-2-yl)propyl]sulfanium; 4-methylbenzenesulfonate Openeye Name: 3-(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl)propyl-dimethyl-sulfonium; 4-methylbenzenesulfonate CAS Name: 3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)propyl-dimethylsulfonium; 4-methylbenzenesulfonate IUPAC Name: 3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propyl-dimethylsulfanium; 4-methylbenzenesulfonate Traditional Name: 3-(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl)propyl-dimethyl-sulfonium tosylate Formula: C25H36O5S2 MolecularWeight: 480.68034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(C(=C2CCC(OC2=C1C)(C)CCC[S+](C)C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(C(=C2CCC(OC2=C1C)(C)CCC[S+](C)C)C)O

InChI

InChI=1S/C18H28O2S.C7H8O3S/c1-12-13(2)17-15(14(3)16(12)19)8-10-18(4,20-17)9-7-11-21(5)6;1-6-2-4-7(5-3-6)11(8,9)10/h7-11H2,1-6H3;2-5H,1H3,(H,8,9,10)