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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H50N2O
Molecular Weight 538.8057
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of METHANOPHENAZINE, (-)-(S)-

SMILES

C[C@H](CCOC1=CC=C2N=C3C=CC=CC3=NC2=C1)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C

InChI

InChIKey=VRHMBACMYZITGD-ZXGAWIPVSA-N
InChI=1S/C37H50N2O/c1-28(2)13-9-14-29(3)15-10-16-30(4)17-11-18-31(5)19-12-20-32(6)25-26-40-33-23-24-36-37(27-33)39-35-22-8-7-21-34(35)38-36/h7-8,13,15,17,19,21-24,27,32H,9-12,14,16,18,20,25-26H2,1-6H3/b29-15+,30-17+,31-19+/t32-/m0/s1

HIDE SMILES / InChI

Molecular Formula C37H50N2O
Molecular Weight 538.8057
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 3
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
3458PQ9Q64
Record Status Validated (UNII)
Record Version