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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H21F6NO5
Molecular Weight 541.4391
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ACRINATHRIN

SMILES

CC1(C)[C@@H](\C=C/C(=O)OC(C(F)(F)F)C(F)(F)F)[C@H]1C(=O)O[C@H](C#N)C2=CC(OC3=CC=CC=C3)=CC=C2

InChI

InChIKey=YLFSVIMMRPNPFK-WEQBUNFVSA-N
InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H21F6NO5
Molecular Weight 541.4391
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
QUI1AZ37K6
Record Status Validated (UNII)
Record Version