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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H16O3
Molecular Weight 292.3285
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-METHYLCHRYSENE-1,2-DIOL-3,4-EPOXIDE, (1R,2S,3S,4R)-

SMILES

CC1=CC2=C3[C@H]4O[C@H]4[C@@H](O)[C@H](O)C3=CC=C2C5=C1C=CC=C5

InChI

InChIKey=PYPGXSRNRQKRQD-HCXYKTFWSA-N
InChI=1S/C19H16O3/c1-9-8-14-12(11-5-3-2-4-10(9)11)6-7-13-15(14)18-19(22-18)17(21)16(13)20/h2-8,16-21H,1H3/t16-,17+,18-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H16O3
Molecular Weight 292.3285
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
CT186P942O
Record Status Validated (UNII)
Record Version