Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C37H34N2O9S3.Ca |
| Molecular Weight | 786.947 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].CCN(CC1=CC=CC(=C1)S([O-])(=O)=O)C2=CC=C(C=C2)C(C3=CC=C(C=C3)S([O-])(=O)=O)=C4C=CC(C=C4)=[N+](CC)CC5=CC=CC(=C5)S([O-])(=O)=O
InChI
InChIKey=BKRDOBVSJZKMFN-UHFFFAOYSA-L
InChI=1S/C37H36N2O9S3.Ca/c1-3-38(25-27-7-5-9-35(23-27)50(43,44)45)32-17-11-29(12-18-32)37(31-15-21-34(22-16-31)49(40,41)42)30-13-19-33(20-14-30)39(4-2)26-28-8-6-10-36(24-28)51(46,47)48;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);/q;+2/p-2
Approval Year
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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6546-18-5
Created by
admin on Fri Dec 15 16:34:18 GMT 2023 , Edited by admin on Fri Dec 15 16:34:18 GMT 2023
|
PRIMARY | |||
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71586897
Created by
admin on Fri Dec 15 16:34:18 GMT 2023 , Edited by admin on Fri Dec 15 16:34:18 GMT 2023
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PRIMARY | |||
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K414AX1M5S
Created by
admin on Fri Dec 15 16:34:18 GMT 2023 , Edited by admin on Fri Dec 15 16:34:18 GMT 2023
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PRIMARY | |||
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DTXSID10215784
Created by
admin on Fri Dec 15 16:34:18 GMT 2023 , Edited by admin on Fri Dec 15 16:34:18 GMT 2023
|
PRIMARY |
SUBSTANCE RECORD
