4-(METHYLOCTADECYLAMINO)-3-NITROBENZOIC ACID

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H44N2O4
Molecular Weight	448.6386
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(METHYLOCTADECYLAMINO)-3-NITROBENZOIC ACID

Structure Search

SMILES

CCCCCCCCCCCCCCCCCCN(C)C1=CC=C(C=C1[N+]([O-])=O)C(O)=O

InChI

InChIKey=CITOGJZWCOOZGD-UHFFFAOYSA-N

InChI=1S/C26H44N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27(2)24-20-19-23(26(29)30)22-25(24)28(31)32/h19-20,22H,3-18,21H2,1-2H3,(H,29,30)

HIDE SMILES / InChI

Molecular Formula	C26H44N2O4
Molecular Weight	448.6386
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 18:53:51 GMT 2025` Edited by `admin` on `Tue Apr 01 18:53:51 GMT 2025`
Record UNII	2WAM5EXD5S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZOIC ACID, 4-(METHYLOCTADECYLAMINO)-3-NITRO-

Preferred Name

English

4-(METHYLOCTADECYLAMINO)-3-NITROBENZOIC ACID

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID20240901

Created by admin on Tue Apr 01 18:53:51 GMT 2025 , Edited by admin on Tue Apr 01 18:53:51 GMT 2025

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CAS

94160-44-8

Created by admin on Tue Apr 01 18:53:51 GMT 2025 , Edited by admin on Tue Apr 01 18:53:51 GMT 2025

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FDA UNII

2WAM5EXD5S

Created by admin on Tue Apr 01 18:53:51 GMT 2025 , Edited by admin on Tue Apr 01 18:53:51 GMT 2025

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PUBCHEM

21149810

Created by admin on Tue Apr 01 18:53:51 GMT 2025 , Edited by admin on Tue Apr 01 18:53:51 GMT 2025

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ECHA (EC/EINECS)

303-329-0

Created by admin on Tue Apr 01 18:53:51 GMT 2025 , Edited by admin on Tue Apr 01 18:53:51 GMT 2025

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