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Details

Stereochemistry ACHIRAL
Molecular Formula 2C20H29NO.C4H4O4
Molecular Weight 714.9729
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of SU-19713B

SMILES

OC(=O)\C=C/C(O)=O.COC1=CC=C2C(CCC3(CCCC3)C2=CCCN(C)C)=C1.COC4=CC=C5C(CCC6(CCCC6)C5=CCCN(C)C)=C4

InChI

InChIKey=XHQZHNMHWRZWEX-MZQZOBJPSA-N
InChI=1S/2C20H29NO.C4H4O4/c2*1-21(2)14-6-7-19-18-9-8-17(22-3)15-16(18)10-13-20(19)11-4-5-12-20;5-3(6)1-2-4(7)8/h2*7-9,15H,4-6,10-14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b2*19-7-;2-1-

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C20H29NO
Molecular Weight 299.4504
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
AW2UW5NSQ8
Record Status Validated (UNII)
Record Version