12-{4-[(E)-(4-Ethynyl-2-methylphenyl)diazenyl]phenoxy}dodecan-1-ol (Q82838118)

chemical compound

Language	Label	Description	Also known as
English	12-{4-[(E)-(4-Ethynyl-2-methylphenyl)diazenyl]phenoxy}dodecan-1-ol	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

420.2776783919999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₆N₂O₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C#Cc1ccc(/N=N/c2ccc(OCCCCCCCCCCCCO)cc2)c(C)c1

1 reference

based on heuristic

inferred from InChI

isomeric SMILES

C#Cc1ccc(/N=N/c2ccc(OCCCCCCCCCCCCO)cc2)c(C)c1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C27H36N2O2/c1-3-24-14-19-27(23(2)22-24)29-28-25-15-17-26(18-16-25)31-21-13-11-9-7-5-4-6-8-10-12-20-30/h1,14-19,22,30H,4-13,20-21H2,2H3/b29-28+

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InChIKey

VDEMGNDSXNSMRO-ZQHSETAFSA-N

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0 references

1 reference

matched by identifier from

InChIKey

VDEMGNDSXNSMRO-ZQHSETAFSA-N

DSSTOX compound identifier

DTXCID30797239

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12-{4-[(E)-(4-Ethynyl-2-methylphenyl)diazenyl]phenoxy}dodecan-1-ol (Q82838118)

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12-{4-[(E)-(4-Ethynyl-2-methylphenyl)diazenyl]phenoxy}dodecan-1-ol (Q82838118)

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