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Details

Stereochemistry ACHIRAL
Molecular Formula C19H14O4S
Molecular Weight 338.377
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Hydroxymethylchrysene sulfate

SMILES

OS(=O)(=O)OCC1=CC2=CC=CC=C2C3=C1C4=C(C=CC=C4)C=C3

InChI

InChIKey=SRLZFYPFZJWWAE-UHFFFAOYSA-N
InChI=1S/C19H14O4S/c20-24(21,22)23-12-15-11-14-6-2-3-7-16(14)18-10-9-13-5-1-4-8-17(13)19(15)18/h1-11H,12H2,(H,20,21,22)

HIDE SMILES / InChI

Molecular Formula C19H14O4S
Molecular Weight 338.377
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 Mon Mar 31 21:46:06 GMT 2025
Edited
by admin
on Mon Mar 31 21:46:06 GMT 2025
Record UNII
4G66ZQN5KX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Hydroxymethylchrysene sulfate
Systematic Name English
5-Chrysenemethanol, hydrogen sulfate
Preferred Name English
5-Chrysenemethanol, 5-(hydrogen sulfate)
Systematic Name English
Code System Code Type Description
PUBCHEM
58130
Created by admin on Mon Mar 31 21:46:06 GMT 2025 , Edited by admin on Mon Mar 31 21:46:06 GMT 2025
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EPA CompTox
DTXSID40143581
Created by admin on Mon Mar 31 21:46:06 GMT 2025 , Edited by admin on Mon Mar 31 21:46:06 GMT 2025
PRIMARY
FDA UNII
4G66ZQN5KX
Created by admin on Mon Mar 31 21:46:06 GMT 2025 , Edited by admin on Mon Mar 31 21:46:06 GMT 2025
PRIMARY
CAS
100924-64-9
Created by admin on Mon Mar 31 21:46:06 GMT 2025 , Edited by admin on Mon Mar 31 21:46:06 GMT 2025
PRIMARY