4,5,6-TRIETHOXY-7-NITROPHTHALIDE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H17NO7
Molecular Weight	311.2873
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4,5,6-TRIETHOXY-7-NITROPHTHALIDE

Structure Search

SMILES

CCOC1=C(OCC)C(OCC)=C(C2=C1COC2=O)[N+]([O-])=O

InChI

InChIKey=FTLVJOVZLDLKLZ-UHFFFAOYSA-N

InChI=1S/C14H17NO7/c1-4-19-11-8-7-22-14(16)9(8)10(15(17)18)12(20-5-2)13(11)21-6-3/h4-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C14H17NO7
Molecular Weight	311.2873
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 `Sat Dec 16 13:13:35 GMT 2023` Edited by `admin` on `Sat Dec 16 13:13:35 GMT 2023`
Record UNII	USG7NUP2WD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4,5,6-TRIETHOXY-7-NITROPHTHALIDE

Systematic Name

English

1(3H)-ISOBENZOFURANONE, 4,5,6-TRIETHOXY-7-NITRO-

Systematic Name

English

4,5,6-TRIETHOXY-7-NITRO-1(3H)-ISOBENZOFURANONE

Systematic Name

English

Code System Code Type Description

PUBCHEM

6452177

Created by admin on Sat Dec 16 13:13:35 GMT 2023 , Edited by admin on Sat Dec 16 13:13:35 GMT 2023

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ECHA (EC/EINECS)

225-655-1

Created by admin on Sat Dec 16 13:13:35 GMT 2023 , Edited by admin on Sat Dec 16 13:13:35 GMT 2023

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FDA UNII

USG7NUP2WD

Created by admin on Sat Dec 16 13:13:35 GMT 2023 , Edited by admin on Sat Dec 16 13:13:35 GMT 2023

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EPA CompTox

DTXSID60198159

Created by admin on Sat Dec 16 13:13:35 GMT 2023 , Edited by admin on Sat Dec 16 13:13:35 GMT 2023

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CAS

4995-54-4

Created by admin on Sat Dec 16 13:13:35 GMT 2023 , Edited by admin on Sat Dec 16 13:13:35 GMT 2023

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