(Q82006513)

English

propane-2,2-diylbis(benzene-4,1-diyloxyethane-2,1-diyl) bis[3-(aziridin-1-yl)butanoate]

chemical compound

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Statements

type of chemical entity

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chemical compound

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538.304287064 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₂N₂O₆

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based on heuristic

inferred from SMILES

canonical SMILES

CC(CC(=O)OCCOc1ccc(C(C)(C)c2ccc(OCCOC(=O)CC(C)N3CC3)cc2)cc1)N1CC1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C31H42N2O6/c1-23(32-13-14-32)21-29(34)38-19-17-36-27-9-5-25(6-10-27)31(3,4)26-7-11-28(12-8-26)37-18-20-39-30(35)22-24(2)33-15-16-33/h5-12,23-24H,13-22H2,1-4H3

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JEBTVWVLWHTMOZ-UHFFFAOYSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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