(Q82995087)

English

2',4-Dimethyl-5,5',9,9',11,11',12,12'-octaoxo[7,7'-dithia-6,6',8,8'-tetraaza-2,2'-bi(tricyclo[6.2.1.1~3,6~]dodecane)]-2-carboxylate

chemical compound

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Statements

type of chemical entity

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chemical compound

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549.03915832391 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₁H₁₇N₄O₁₀S₂⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1C(=O)N2SN3C(=O)CC(C3=O)C(C(=O)[O-])(C3(C)C4CC(=O)N(SN5C(=O)CC3C5=O)C4=O)C1C2=O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C21H18N4O10S2/c1-6-13-18(33)25(14(6)29)37-24-12(28)5-9(17(24)32)21(13,19(34)35)20(2)7-3-10(26)22(15(7)30)36-23-11(27)4-8(20)16(23)31/h6-9,13H,3-5H2,1-2H3,(H,34,35)/p-1

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NAYJFVAXQWXKHO-UHFFFAOYSA-M

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CAS Registry Number

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DSSTox substance ID

DTXSID801001235

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DSSTOX compound identifier

DTXCID601428188

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