SpectraBase Spectrum ID |
IudZcXSEG8C |
Name |
Propanedioic acid, [1-[[(4-methylphenyl)sulfonyl]methyl]nonylidene]-, dimethyl ester |
Alternate Name(s) |
Dimethyl 2-(1-{[(4-methylphenyl)sulfonyl]methyl}nonylidene)malonate |
CAS Registry Number |
108895-58-5 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C22H32O6S |
InChI |
InChI=1S/C22H32O6S/c1-5-6-7-8-9-10-11-18(20(21(23)27-3)22(24)28-4)16-29(25,26)19-14-12-17(2)13-15-19/h12-15H,5-11,16H2,1-4H3 |
InChIKey |
UVDDRRMDKSRRTA-UHFFFAOYSA-N |
Molecular Weight |
424.552 g/mol |
SMILES |
C(S(c1ccc(cc1)C)(=O)=O)C(=C(C(=O)OC)C(=O)OC)CCCCCCCC |
SPLASH |
splash10-0006-9030000000-84bd9b1c25f20f24b62f |
Source of Spectrum |
J-52-4268-6 |
Wiley ID |
1379228 |