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Details

Stereochemistry ACHIRAL
Molecular Formula C20H16N2O2
Molecular Weight 316.3532
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of XANTHOCILLIN X DIMETHYL ETHER

SMILES

COC1=CC=C(C=C1)\C=C([N+]#[C-])\C(=C\C2=CC=C(OC)C=C2)[N+]#[C-]

InChI

InChIKey=VJKZMXOJMQCHRI-AXPXABNXSA-N
InChI=1S/C20H16N2O2/c1-21-19(13-15-5-9-17(23-3)10-6-15)20(22-2)14-16-7-11-18(24-4)12-8-16/h5-14H,3-4H3/b19-13-,20-14-

HIDE SMILES / InChI

Molecular Formula C20H16N2O2
Molecular Weight 316.3532
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
Y2QBX70049
Record Status Validated (UNII)
Record Version