Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C31H28O4.C5H5.Cl.Ti |
| Molecular Weight | 612.965 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Cl-].[Ti+4].[CH-]1C=CC=C1.CC2(C)O[C@H]([C@@H](O2)C([O-])(C3=CC=CC=C3)C4=CC=CC=C4)C([O-])(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChIKey=ZNASWHXUMKLPQE-CRMRIEQBSA-M
InChI=1S/C31H28O4.C5H5.ClH.Ti/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26;1-2-4-5-3-1;;/h3-22,27-28H,1-2H3;1-5H;1H;/q-2;-1;;+4/p-1/t27-,28-;;;/m1.../s1
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C5H6 |
| Molecular Weight | 66.1011 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | Ti |
| Molecular Weight | 47.867 |
| Charge | 4 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C31H28O4 |
| Molecular Weight | 464.5516 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 01:57:31 GMT 2023
by
admin
on
Sat Dec 16 01:57:31 GMT 2023
|
| Record UNII |
BT2Y4DD457
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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m4789
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132068-98-5
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BT2Y4DD457
Created by
admin on Sat Dec 16 01:57:31 GMT 2023 , Edited by admin on Sat Dec 16 01:57:31 GMT 2023
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71311157
Created by
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DTXSID70746483
Created by
admin on Sat Dec 16 01:57:31 GMT 2023 , Edited by admin on Sat Dec 16 01:57:31 GMT 2023
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