| SpectraBase Spectrum ID |
ACwvZrNf28Z |
| Name |
Benzoic acid, 3,5-dichloro-2,4-dihydroxy-6-pentyl-, 4-carboxy-3-methoxy-5-pentylphenyl ester |
| Alternate Name(s) |
4-[(3,5-Dichloro-2,4-dihydroxy-6-pentylbenzoyl)oxy]-2-methoxy-6-pentylbenzoic acid
2-amyl-4-(2-amyl-3,5-dichloro-4,6-dihydroxy-benzoyl)oxy-6-methoxy-benzoic acid
4-[(3,5-dichloro-2,4-dihydroxy-6-pentylphenyl)-oxomethoxy]-2-methoxy-6-pentylbenzoic acid
4-[3,5-bis(chloranyl)-2,4-bis(oxidanyl)-6-pentyl-phenyl]carbonyloxy-2-methoxy-6-pentyl-benzoic acid
4-(3,5-dichloro-2,4-dihydroxy-6-pentylbenzoyl)oxy-2-methoxy-6-pentylbenzoic acid |
| CAS Registry Number |
64185-14-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H30Cl2O7 |
| InChI |
InChI=1S/C25H30Cl2O7/c1-4-6-8-10-14-12-15(13-17(33-3)18(14)24(30)31)34-25(32)19-16(11-9-7-5-2)20(26)23(29)21(27)22(19)28/h12-13,28-29H,4-11H2,1-3H3,(H,30,31) |
| InChIKey |
IDRJMRKONACJDM-UHFFFAOYSA-N |
| Molecular Weight |
513.414 g/mol |
| SMILES |
OC(c1c(cc(OC(c2c(c(c(c(c2O)Cl)O)Cl)CCCCC)=O)cc1OC)CCCCC)=O |
| SPLASH |
splash10-001i-0900000000-0e43178e517cf49edad1 |
| Source of Spectrum |
B-38-1871-6 |
| Wiley ID |
1400771 |
