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Details

Stereochemistry ACHIRAL
Molecular Formula C20H22N2O2S
Molecular Weight 354.466
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYCANTHONE 4-ALDEHYDE

SMILES

CCN(CC)CCNC1=CC=C(C=O)C2=C1C(=O)C3=C(S2)C=CC=C3

InChI

InChIKey=DRILSYDEPQSKEK-UHFFFAOYSA-N
InChI=1S/C20H22N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,13,21H,3-4,11-12H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C20H22N2O2S
Molecular Weight 354.466
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
2G76WPX13H
Record Status Validated (UNII)
Record Version