(Q82752738)

English

4-[(E)-(4-{2-[3,4-Bis(dodecyloxy)phenyl]ethenyl}phenyl)diazenyl]benzoic acid

chemical compound

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Statements

group of stereoisomers

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chemical compound

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696.486608528 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₅H₆₄N₂O₄

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCOc1ccc(C=Cc2ccc(/N=N/c3ccc(C(=O)O)cc3)cc2)cc1OCCCCCCCCCCCC

1 reference

based on heuristic

inferred from InChI

isomeric SMILES

CCCCCCCCCCCCOc1ccc(C=Cc2ccc(/N=N/c3ccc(C(=O)O)cc3)cc2)cc1OCCCCCCCCCCCC

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C45H64N2O4/c1-3-5-7-9-11-13-15-17-19-21-35-50-43-34-27-39(37-44(43)51-36-22-20-18-16-14-12-10-8-6-4-2)24-23-38-25-30-41(31-26-38)46-47-42-32-28-40(29-33-42)45(48)49/h23-34,37H,3-22,35-36H2,1-2H3,(H,48,49)/b24-23?,47-46+

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HLZMCBIYSJPOTE-XYCTWTQKSA-N

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CAS Registry Number

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DSSTox substance ID

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DSSTOX compound identifier

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