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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21NO2
Molecular Weight 295.3755
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRONE CYANATE

SMILES

[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]3([H])C4=CC=C(OC#N)C=C4CC[C@@]23[H]

InChI

InChIKey=OIOQBNDENVAFEU-VXNCWWDNSA-N
InChI=1S/C19H21NO2/c1-19-9-8-15-14-5-3-13(22-11-20)10-12(14)2-4-16(15)17(19)6-7-18(19)21/h3,5,10,15-17H,2,4,6-9H2,1H3/t15-,16-,17+,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H21NO2
Molecular Weight 295.3755
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
YV53AV45DS
Record Status Validated (UNII)
Record Version