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Details

Stereochemistry MIXED
Molecular Formula C15H20O4
Molecular Weight 264.3169
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 1-[2-(Hydroxymethyl)-3-methoxyphenyl]-1,5-heptadiene-3,4-diol

SMILES

COC1=CC=CC(C=CC(O)C(O)C=CC)=C1CO

InChI

InChIKey=LZYJPAWCYKHAAS-YEQUJYSKSA-N
InChI=1S/C15H20O4/c1-3-5-13(17)14(18)9-8-11-6-4-7-15(19-2)12(11)10-16/h3-9,13-14,16-18H,10H2,1-2H3/b5-3+,9-8+

HIDE SMILES / InChI

Molecular Formula C15H20O4
Molecular Weight 264.3169
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:11:00 GMT 2025
Edited
by admin
on Tue Apr 01 20:11:00 GMT 2025
Record UNII
93LE273ZK6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,5-Heptadiene-3,4-diol, 1-[2-(hydroxymethyl)-3-methoxyphenyl]-
Preferred Name English
1-[2-(Hydroxymethyl)-3-methoxyphenyl]-1,5-heptadiene-3,4-diol
Systematic Name English
Code System Code Type Description
FDA UNII
93LE273ZK6
Created by admin on Tue Apr 01 20:11:00 GMT 2025 , Edited by admin on Tue Apr 01 20:11:00 GMT 2025
PRIMARY
PUBCHEM
162800569
Created by admin on Tue Apr 01 20:11:00 GMT 2025 , Edited by admin on Tue Apr 01 20:11:00 GMT 2025
PRIMARY
CAS
72330-50-8
Created by admin on Tue Apr 01 20:11:00 GMT 2025 , Edited by admin on Tue Apr 01 20:11:00 GMT 2025
PRIMARY