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Details

Stereochemistry ACHIRAL
Molecular Formula C23H20N2O2
Molecular Weight 356.4171
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of XANTHOASCIN

SMILES

CC1(C)CCC2=C(O1)C=CC(\C=C([N+]#[C-])\C(=C\C3=CC=C(O)C=C3)[N+]#[C-])=C2

InChI

InChIKey=ONZXHWTZPHRYLC-SIBCGJTDSA-N
InChI=1S/C23H20N2O2/c1-23(2)12-11-18-13-17(7-10-22(18)27-23)15-21(25-4)20(24-3)14-16-5-8-19(26)9-6-16/h5-10,13-15,26H,11-12H2,1-2H3/b20-14-,21-15-

HIDE SMILES / InChI

Molecular Formula C23H20N2O2
Molecular Weight 356.4171
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:03:24 GMT 2023
Edited
by admin
on Sat Dec 16 11:03:24 GMT 2023
Record UNII
J2251719T3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
XANTHOASCIN
Common Name English
PHENOL, 4-(4-(3,4-DIHYDRO-2,2-DIMETHYL-2H-1-BENZOPYRAN-6-YL)-2,3-DIISOCYANO-1,3-BUTADIEN-1-YL)-
Systematic Name English
PHENOL, 4-(4-(3,4-DIHYDRO-2,2-DIMETHYL-2H-1-BENZOPYREAN-6-YL)-2,3-DIISOCYANO-1,3-BUTADIEN-1-YL)-, E,E-
Systematic Name English
Code System Code Type Description
PUBCHEM
6441082
Created by admin on Sat Dec 16 11:03:24 GMT 2023 , Edited by admin on Sat Dec 16 11:03:24 GMT 2023
PRIMARY
CAS
61391-08-0
Created by admin on Sat Dec 16 11:03:24 GMT 2023 , Edited by admin on Sat Dec 16 11:03:24 GMT 2023
PRIMARY
FDA UNII
J2251719T3
Created by admin on Sat Dec 16 11:03:24 GMT 2023 , Edited by admin on Sat Dec 16 11:03:24 GMT 2023
PRIMARY