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Details

Stereochemistry ACHIRAL
Molecular Formula C18H12N2O3
Molecular Weight 304.2995
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of XANTHOCILLIN Y1

SMILES

OC1=CC=C(\C=C([N+]#[C-])\C(=C\C2=CC=C(O)C(O)=C2)[N+]#[C-])C=C1

InChI

InChIKey=ZEVJVXZODXFQEV-VULZFCBJSA-N
InChI=1S/C18H12N2O3/c1-19-15(9-12-3-6-14(21)7-4-12)16(20-2)10-13-5-8-17(22)18(23)11-13/h3-11,21-23H/b15-9-,16-10-

HIDE SMILES / InChI

Approval Year

Name Type Language
XANTHOCILLIN Y1
MI  
Common Name English
XANTHOCILLIN Y 1
Preferred Name English
1,2-BENZENEDIOL, 4-((1Z,3Z)-4-(4-HYDROXYPHENYL)-2,3-DIISOCYANO-1,3-BUTADIENYL)-
Systematic Name English
1,2-BENZENEDIOL, 4-((1Z,3Z)-4-(4-HYDROXYPHENYL)-2,3-DIISOCYANO-1,3-BUTADIEN-1-YL)-
Systematic Name English
XANTHOCILLIN Y1 [MI]
Common Name English
4-((1Z,3Z)-4-(4-HYDROXYPHENYL)-2,3-DIISOCYANO-1,3-BUTADIEN-1-YL)-1,2-BENZENEDIOL
Systematic Name English
Code System Code Type Description
PUBCHEM
6444357
Created by admin on Mon Mar 31 20:30:24 GMT 2025 , Edited by admin on Mon Mar 31 20:30:24 GMT 2025
PRIMARY
MERCK INDEX
m11529
Created by admin on Mon Mar 31 20:30:24 GMT 2025 , Edited by admin on Mon Mar 31 20:30:24 GMT 2025
PRIMARY Merck Index
FDA UNII
8W7HNT795T
Created by admin on Mon Mar 31 20:30:24 GMT 2025 , Edited by admin on Mon Mar 31 20:30:24 GMT 2025
PRIMARY
CAS
38965-69-4
Created by admin on Mon Mar 31 20:30:24 GMT 2025 , Edited by admin on Mon Mar 31 20:30:24 GMT 2025
PRIMARY