Details
Stereochemistry | ACHIRAL |
Molecular Formula | 3C37H34N2O9S3.2Al |
Molecular Weight | 2294.57 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Al+3].[Al+3].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C2=CC=C(C=C2)C(=C3C=CC(C=C3)=[N+](CC)CC4=CC(=CC=C4)S([O-])(=O)=O)C5=CC=CC=C5S([O-])(=O)=O.CCN(CC6=CC(=CC=C6)S([O-])(=O)=O)C7=CC=C(C=C7)C(=C8C=CC(C=C8)=[N+](CC)CC9=CC(=CC=C9)S([O-])(=O)=O)C%10=CC=CC=C%10S([O-])(=O)=O.CCN(CC%11=CC(=CC=C%11)S([O-])(=O)=O)C%12=CC=C(C=C%12)C(=C%13C=CC(C=C%13)=[N+](CC)CC%14=CC(=CC=C%14)S([O-])(=O)=O)C%15=CC=CC=C%15S([O-])(=O)=O
InChI
InChIKey=KQVJZDZLEDQCSD-UHFFFAOYSA-H
InChI=1S/3C37H36N2O9S3.2Al/c3*1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h3*5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;;;2*+3/p-6
Approval Year
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15792-67-3
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100000127354
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68921-42-6
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J9EQA3S2JM
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11979396
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admin on Sat Dec 16 11:29:04 GMT 2023 , Edited by admin on Sat Dec 16 11:29:04 GMT 2023
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DTXSID601015325
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272-939-6
Created by
admin on Sat Dec 16 11:29:04 GMT 2023 , Edited by admin on Sat Dec 16 11:29:04 GMT 2023
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SUBSTANCE RECORD