1,4,5,8-TETRAHYDRO-4A,8A-NAPHTHALENEDICARBOXYLIC ACID

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H14O4
Molecular Weight	222.2372
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,4,5,8-TETRAHYDRO-4A,8A-NAPHTHALENEDICARBOXYLIC ACID

Structure Search

SMILES

OC(=O)[C@]12CC=CC[C@]1(CC=CC2)C(O)=O

InChI

InChIKey=NXUJTEIDSOQKGW-TXEJJXNPSA-N

InChI=1S/C12H14O4/c13-9(14)11-5-1-2-6-12(11,10(15)16)8-4-3-7-11/h1-4H,5-8H2,(H,13,14)(H,15,16)/t11-,12+

HIDE SMILES / InChI

Molecular Formula	C12H14O4
Molecular Weight	222.2372
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:29:37 GMT 2025` Edited by `admin` on `Tue Apr 01 20:29:37 GMT 2025`
Record UNII	9HF7QCI9IN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,4,5,8-TETRAHYDRO-4A,8A-NAPHTHALENEDICARBOXYLIC ACID

Common Name

English

NSC-100967

Preferred Name

English

4A,8A-NAPHTHALENEDICARBOXYLIC ACID, 1,4,5,8-TETRAHYDRO-, CIS-

Systematic Name

English

CIS-1,4,5,8-TETRAHYDRO-4A,8A-NAPHTHALENEDICARBOXYLIC ACID

Systematic Name

English

4A,8A-NAPHTHALENEDICARBOXYLIC ACID, 1,4,5,8-TETRAHYDRO-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID00229057

Created by admin on Tue Apr 01 20:29:37 GMT 2025 , Edited by admin on Tue Apr 01 20:29:37 GMT 2025

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FDA UNII

9HF7QCI9IN

Created by admin on Tue Apr 01 20:29:37 GMT 2025 , Edited by admin on Tue Apr 01 20:29:37 GMT 2025

PRIMARY

CAS

3642-04-4

Created by admin on Tue Apr 01 20:29:37 GMT 2025 , Edited by admin on Tue Apr 01 20:29:37 GMT 2025

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NSC

100967

Created by admin on Tue Apr 01 20:29:37 GMT 2025 , Edited by admin on Tue Apr 01 20:29:37 GMT 2025

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PUBCHEM

265144

Created by admin on Tue Apr 01 20:29:37 GMT 2025 , Edited by admin on Tue Apr 01 20:29:37 GMT 2025

PRIMARY

CAS

78388-31-5

Created by admin on Tue Apr 01 20:29:37 GMT 2025 , Edited by admin on Tue Apr 01 20:29:37 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY