2-HYDROXY-3-IODO-2,4,6-CYCLOHEPTATRIEN-1-ONE P-NITROBENZOATE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H8INO5
Molecular Weight	397.1215
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-HYDROXY-3-IODO-2,4,6-CYCLOHEPTATRIEN-1-ONE P-NITROBENZOATE

Structure Search

SMILES

[O-][N+](=O)C1=CC=C(C=C1)C(=O)OC2=C(I)C=CC=CC2=O

InChI

InChIKey=IDYYUTZSVVKPAW-UHFFFAOYSA-N

InChI=1S/C14H8INO5/c15-11-3-1-2-4-12(17)13(11)21-14(18)9-5-7-10(8-6-9)16(19)20/h1-8H

HIDE SMILES / InChI

Molecular Formula	C14H8INO5
Molecular Weight	397.1215
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:35:21 GMT 2025` Edited by `admin` on `Tue Apr 01 19:35:21 GMT 2025`
Record UNII	I0MHR2XFA0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-HYDROXY-3-IODO-2,4,6-CYCLOHEPTATRIEN-1-ONE P-NITROBENZOATE

Systematic Name

English

NSC-85776

Preferred Name

English

2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-3-IODO-, P-NITROBENZOATE

Common Name

English

Code System Code Type Description

PUBCHEM

18074

Created by admin on Tue Apr 01 19:35:21 GMT 2025 , Edited by admin on Tue Apr 01 19:35:21 GMT 2025

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NSC

85776

Created by admin on Tue Apr 01 19:35:21 GMT 2025 , Edited by admin on Tue Apr 01 19:35:21 GMT 2025

PRIMARY

CAS

2961-87-7

Created by admin on Tue Apr 01 19:35:21 GMT 2025 , Edited by admin on Tue Apr 01 19:35:21 GMT 2025

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EPA CompTox

DTXSID10183797

Created by admin on Tue Apr 01 19:35:21 GMT 2025 , Edited by admin on Tue Apr 01 19:35:21 GMT 2025

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FDA UNII

I0MHR2XFA0

Created by admin on Tue Apr 01 19:35:21 GMT 2025 , Edited by admin on Tue Apr 01 19:35:21 GMT 2025

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