dimethyl-[2-(2,5,7-trimethyl-6-oxidanyl-3,4-dihydrochromen-2-yl)ethyl]sulfanium; 4-methylbenzenesulfonate

Systemtic Name: dimethyl-[2-(2,5,7-trimethyl-6-oxidanyl-3,4-dihydrochromen-2-yl)ethyl]sulfanium; 4-methylbenzenesulfonate Openeye Name: 2-(6-hydroxy-2,5,7-trimethyl-chroman-2-yl)ethyl-dimethyl-sulfonium; 4-methylbenzenesulfonate CAS Name: 2-(6-hydroxy-2,5,7-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl)ethyl-dimethylsulfonium; 4-methylbenzenesulfonate IUPAC Name: 2-(6-hydroxy-2,5,7-trimethyl-3,4-dihydrochromen-2-yl)ethyl-dimethylsulfanium; 4-methylbenzenesulfonate Traditional Name: 2-(6-hydroxy-2,5,7-trimethyl-chroman-2-yl)ethyl-dimethyl-sulfonium tosylate Formula: C23H32O5S2 MolecularWeight: 452.62718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC2=C(CCC(O2)(C)CC[S+](C)C)C(=C1O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC2=C(CCC(O2)(C)CC[S+](C)C)C(=C1O)C

InChI

InChI=1S/C16H24O2S.C7H8O3S/c1-11-10-14-13(12(2)15(11)17)6-7-16(3,18-14)8-9-19(4)5;1-6-2-4-7(5-3-6)11(8,9)10/h10H,6-9H2,1-5H3;2-5H,1H3,(H,8,9,10)