Details
Stereochemistry | ACHIRAL |
Molecular Formula | C31H36ClN3O5S.2C4H4O4 |
Molecular Weight | 830.297 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 2 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.COC1=CC(=CC(OC)=C1OC)C(=O)OCCN2CCN(CCCN3C4=CC=CC=C4SC5=C3C=C(Cl)C=C5)CC2
InChI
InChIKey=ZDTAJBBRWBBHSZ-LVEZLNDCSA-N
InChI=1S/C31H36ClN3O5S.2C4H4O4/c1-37-26-19-22(20-27(38-2)30(26)39-3)31(36)40-18-17-34-15-13-33(14-16-34)11-6-12-35-24-7-4-5-8-28(24)41-29-10-9-23(32)21-25(29)35;2*5-3(6)1-2-4(7)8/h4-5,7-10,19-21H,6,11-18H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
Molecular Formula | C4H4O4 |
Molecular Weight | 116.0722 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Molecular Formula | C31H36ClN3O5S |
Molecular Weight | 598.153 |
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 03:46:32 GMT 2023
by
admin
on
Sat Dec 16 03:46:32 GMT 2023
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Record UNII |
2A3RCX7T4J
|
Record Status |
Validated (UNII)
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Record Version |
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6433198
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m7491
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admin on Sat Dec 16 03:46:32 GMT 2023 , Edited by admin on Sat Dec 16 03:46:32 GMT 2023
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2A3RCX7T4J
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522-23-6
Created by
admin on Sat Dec 16 03:46:32 GMT 2023 , Edited by admin on Sat Dec 16 03:46:32 GMT 2023
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