Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C34H32N4O4.C3H6NO2S.Fe.O2 |
Molecular Weight | 768.636 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Fe+3].O=O.N[C@@H](C[S-])C(O)=O.CC1=C(CCC(O)=O)C2=CC3=NC(=CC4=C(C)C(C=C)=C([N-]4)C=C5N=C(C=C1[N-]2)C(C=C)=C5C)C(C)=C3CCC(O)=O
InChI
InChIKey=DZJRTDJKFWWBGI-BCZCOZCKSA-K
InChI=1S/C34H34N4O4.C3H7NO2S.Fe.O2/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;4-2(1-7)3(5)6;;1-2/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);2,7H,1,4H2,(H,5,6);;/q;;+3;/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;;/t;2-;;/m.0../s1
Molecular Formula | C3H6NO2S |
Molecular Weight | 120.15 |
Charge | -1 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | Fe |
Molecular Weight | 55.845 |
Charge | 3 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | O2 |
Molecular Weight | 31.9988 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C34H32N4O4 |
Molecular Weight | 560.6423 |
Charge | -2 |
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 05:16:49 UTC 2023
by
admin
on
Sat Dec 16 05:16:49 UTC 2023
|
Record UNII |
G0HAF1JK3T
|
Record Status |
Validated (UNII)
|
Record Version |
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-
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G0HAF1JK3T
Created by
admin on Sat Dec 16 05:16:49 UTC 2023 , Edited by admin on Sat Dec 16 05:16:49 UTC 2023
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66094-52-8
Created by
admin on Sat Dec 16 05:16:49 UTC 2023 , Edited by admin on Sat Dec 16 05:16:49 UTC 2023
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PRIMARY |