Isoferulic acid 3-sulfate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H10O7S
Molecular Weight	274.247
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(OS(O)(=O)=O)C=C(C=C1)\C=C\C(O)=O

InChI

InChIKey=DCMKMHVTKFJMAU-HWKANZROSA-N

InChI=1S/C10H10O7S/c1-16-8-4-2-7(3-5-10(11)12)6-9(8)17-18(13,14)15/h2-6H,1H3,(H,11,12)(H,13,14,15)/b5-3+

HIDE SMILES / InChI

Molecular Formula	C10H10O7S
Molecular Weight	274.247
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 05:49:18 GMT 2025` Edited by `admin` on `Wed Apr 02 05:49:18 GMT 2025`
Record UNII	563T2V2GJ5
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Isoferulic acid 3-O-sulfate

Preferred Name

English

Isoferulic acid 3-sulfate

Common Name

English

3-[4-Methoxy-3-(sulfooxy)phenyl]-2-propenoic acid

Systematic Name

English

2-Propenoic acid, 3-[4-methoxy-3-(sulfooxy)phenyl]-

Systematic Name

English

(E)-3-(4-methoxy-3-sulfooxyphenyl)prop-2-enoic acid

Systematic Name

English

3-(4-Methoxy-3-sulfooxy-phenyl)prop-2-enoic acid

Systematic Name

English

Code System Code Type Description

CAS

1258842-19-1

Created by admin on Wed Apr 02 05:49:18 GMT 2025 , Edited by admin on Wed Apr 02 05:49:18 GMT 2025

PRIMARY

PUBCHEM

71749556

Created by admin on Wed Apr 02 05:49:18 GMT 2025 , Edited by admin on Wed Apr 02 05:49:18 GMT 2025

PRIMARY

FDA UNII

563T2V2GJ5

Created by admin on Wed Apr 02 05:49:18 GMT 2025 , Edited by admin on Wed Apr 02 05:49:18 GMT 2025

PRIMARY

EPA CompTox

DTXSID70857881

Created by admin on Wed Apr 02 05:49:18 GMT 2025 , Edited by admin on Wed Apr 02 05:49:18 GMT 2025

PRIMARY