Details
Stereochemistry | ACHIRAL |
Molecular Formula | C36H40O12S2.2Na |
Molecular Weight | 774.805 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].CC(C)(CS(=O)(=O)C1=CC=C(OC(=O)C(C)(C)C2=CC=C(C=C2)C(C)(C)C(=O)OC3=CC=C(C=C3)S(=O)(=O)CC(C)(C)C([O-])=O)C=C1)C([O-])=O
InChI
InChIKey=HTARXGMNANKUGQ-UHFFFAOYSA-L
InChI=1S/C36H42O12S2.2Na/c1-33(2,29(37)38)21-49(43,44)27-17-13-25(14-18-27)47-31(41)35(5,6)23-9-11-24(12-10-23)36(7,8)32(42)48-26-15-19-28(20-16-26)50(45,46)22-34(3,4)30(39)40;;/h9-20H,21-22H2,1-8H3,(H,37,38)(H,39,40);;/q;2*+1/p-2
Approval Year
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155947-72-1
Created by
admin on Fri Dec 15 15:53:24 UTC 2023 , Edited by admin on Fri Dec 15 15:53:24 UTC 2023
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131801066
Created by
admin on Fri Dec 15 15:53:24 UTC 2023 , Edited by admin on Fri Dec 15 15:53:24 UTC 2023
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MAI9H9XYHP
Created by
admin on Fri Dec 15 15:53:24 UTC 2023 , Edited by admin on Fri Dec 15 15:53:24 UTC 2023
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PRIMARY |
SUBSTANCE RECORD