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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=CC(\C=C([N+]#[C-])\C(=C\C3=CC=C(O)C=C3)[N+]#[C-])=CC=C2O1

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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
J2251719T3
Record Status Validated (UNII)
Record Version