SpectraBase Spectrum ID |
4UBQjTIvBOq |
Name |
Dimethyl (2S)-2-Hydroxy-2-[(4-methylphenyl)sulfenylmethyl]hexanedioate |
Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C16H22O5S |
InChI |
InChI=1S/C16H22O5S/c1-12-6-8-13(9-7-12)22-11-16(19,15(18)21-3)10-4-5-14(17)20-2/h6-9,19H,4-5,10-11H2,1-3H3/t16-/m1/s1 |
InChIKey |
NBKXLGCUHLXOCL-MRXNPFEDSA-N |
Molecular Weight |
326.407 g/mol |
SMILES |
O[C@@](C(=O)OC)(CSc1ccc(cc1)C)CCCC(=O)OC |
SPLASH |
splash10-000i-2902000000-115098f6ff28aa362a9d |
Source of Spectrum |
F4-40-2107-6 |
Synonyms |
(2S)-2-hydroxy-2-[[(4-methylphenyl)thio]methyl]hexanedioic acid dimethyl ester
Dimethyl (2S)-2-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]hexanedioate
Dimethyl (2S)-2-hydroxy-2-(p-tolylsulfanylmethyl)hexanedioate
Dimethyl (2S)-2-[(4-methylphenyl)sulfanylmethyl]-2-oxidanyl-hexanedioate |
Wiley ID |
1670744 |