5-(3-Sulphopropoxy)isophthalic acid

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H12O8S
Molecular Weight	304.273
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-(3-Sulphopropoxy)isophthalic acid

Structure Search

SMILES

OC(=O)C1=CC(=CC(OCCCS(O)(=O)=O)=C1)C(O)=O

InChI

InChIKey=UTCFIWKVMIMCFB-UHFFFAOYSA-N

InChI=1S/C11H12O8S/c12-10(13)7-4-8(11(14)15)6-9(5-7)19-2-1-3-20(16,17)18/h4-6H,1-3H2,(H,12,13)(H,14,15)(H,16,17,18)

HIDE SMILES / InChI

Molecular Formula	C11H12O8S
Molecular Weight	304.273
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 19:25:24 GMT 2025` Edited by `admin` on `Tue Apr 01 19:25:24 GMT 2025`
Record UNII	YLU55QYS9C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,3-Benzenedicarboxylic acid, 5-(3-sulfopropoxy)-

Preferred Name

English

5-(3-Sulphopropoxy)isophthalic acid

Systematic Name

English

5-(3-Sulfopropoxy)-1,3-benzenedicarboxylic acid

Systematic Name

English

Code System Code Type Description

CAS

93820-01-0

Created by admin on Tue Apr 01 19:25:24 GMT 2025 , Edited by admin on Tue Apr 01 19:25:24 GMT 2025

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FDA UNII

YLU55QYS9C

Created by admin on Tue Apr 01 19:25:24 GMT 2025 , Edited by admin on Tue Apr 01 19:25:24 GMT 2025

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EPA CompTox

DTXSID20239719

Created by admin on Tue Apr 01 19:25:24 GMT 2025 , Edited by admin on Tue Apr 01 19:25:24 GMT 2025

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ECHA (EC/EINECS)

298-585-2

Created by admin on Tue Apr 01 19:25:24 GMT 2025 , Edited by admin on Tue Apr 01 19:25:24 GMT 2025

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PUBCHEM

3022512

Created by admin on Tue Apr 01 19:25:24 GMT 2025 , Edited by admin on Tue Apr 01 19:25:24 GMT 2025

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