(Q82914585)

English

N,N'-(3-Hydroxy-1,6-diphenylhexane-2,5-diyl)bis[2-({hydroxy[(pyridin-4-yl)methoxy]methylidene}amino)benzene-1-carboximidic acid]

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

792.327147748 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₆H₄₄N₆O₇

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canonical SMILES

O=C(Nc1ccccc1C(=O)NC(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccncc1)OCc1ccncc1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3NC(=O)OCC4=CC=NC=C4)O)NC(=O)C5=CC=CC=C5NC(=O)OCC6=CC=NC=C6

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Identifiers

InChI

InChI=1S/C46H44N6O7/c53-42(41(28-33-13-5-2-6-14-33)50-44(55)38-16-8-10-18-40(38)52-46(57)59-31-35-21-25-48-26-22-35)29-36(27-32-11-3-1-4-12-32)49-43(54)37-15-7-9-17-39(37)51-45(56)58-30-34-19-23-47-24-20-34/h1-26,36,41-42,53H,27-31H2,(H,49,54)(H,50,55)(H,51,56)(H,52,57)/t36-,41-,42-/m0/s1

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InChIKey

RXPWCKNSECMTEA-XGXWMDOZSA-N

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matched by identifier from

InChIKey

RXPWCKNSECMTEA-XGXWMDOZSA-N

1 reference

1 reference

matched by identifier from

InChIKey

RXPWCKNSECMTEA-XGXWMDOZSA-N

DSSTOX compound identifier

DTXCID301366838

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(Q82914585)

N,N'-(3-Hydroxy-1,6-diphenylhexane-2,5-diyl)bis[2-({hydroxy[(pyridin-4-yl)methoxy]methylidene}amino)benzene-1-carboximidic acid]

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