Details
| Stereochemistry | MIXED |
| Molecular Formula | 4C19H15O4.C3H8O.4Na.H2O |
| Molecular Weight | 1399.3494 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 0 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[Na+].[Na+].[Na+].[Na+].CC(C)O.CC(=O)CC(C1=CC=CC=C1)C2=C([O-])C3=CC=CC=C3OC2=O.CC(=O)CC(C4=CC=CC=C4)C5=C([O-])C6=CC=CC=C6OC5=O.CC(=O)CC(C7=CC=CC=C7)C8=C([O-])C9=CC=CC=C9OC8=O.CC(=O)CC(C%10=CC=CC=C%10)C%11=C([O-])C%12=CC=CC=C%12OC%11=O
InChI
InChIKey=LPHHVRZCCCWXRX-UHFFFAOYSA-J
InChI=1S/4C19H16O4.C3H8O.4Na.H2O/c4*1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;1-3(2)4;;;;;/h4*2-10,15,21H,11H2,1H3;3-4H,1-2H3;;;;;1H2/q;;;;;4*+1;/p-4
| Molecular Formula | C19H15O4 |
| Molecular Weight | 307.32 |
| Charge | -1 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| Molecular Formula | C3H8O |
| Molecular Weight | 60.095 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:33:39 UTC 2023
by
admin
on
Sat Dec 16 15:33:39 UTC 2023
|
| Record UNII |
YH7WZD4PG3
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
YH7WZD4PG3
Created by
admin on Sat Dec 16 15:33:39 UTC 2023 , Edited by admin on Sat Dec 16 15:33:39 UTC 2023
|
PRIMARY | |||
|
162623921
Created by
admin on Sat Dec 16 15:33:39 UTC 2023 , Edited by admin on Sat Dec 16 15:33:39 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
