| SpectraBase Spectrum ID |
H1dMMKsd2mA |
| Name |
(1.alpha.,2.beta.,3.alpha.,4.beta.,5.alpha.,6.beta.)-hexakis(carboxymethyl)cyclohexane |
| Alternate Name(s) |
[2,3,4,5,6-pentakis(carboxymethyl)cyclohexyl]acetic acid |
| CAS Registry Number |
56180-74-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H24O12 |
| InChI |
InChI=1S/C18H24O12/c19-13(20)1-7-8(2-14(21)22)10(4-16(25)26)12(6-18(29)30)11(5-17(27)28)9(7)3-15(23)24/h7-12H,1-6H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)/t7-,8-,9+,10+,11-,12- |
| InChIKey |
SZYGTIXVGIPHAI-JZWZECNXSA-N |
| Molecular Weight |
432.378 g/mol |
| SMILES |
OC(C[C@]1([C@@]([C@]([C@](CC(=O)O)([C@]([C@@]1(CC(=O)O)[H])(CC(=O)O)[H])[H])(CC(=O)O)[H])(CC(=O)O)[H])[H])=O |
| SPLASH |
splash10-01pe-2490000000-725dbd647e3c56f1b29f |
| Source of Spectrum |
K-124-2527-15 |
| Wiley ID |
1382116 |
