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Details

Stereochemistry ACHIRAL
Molecular Formula C30H28N4O4
Molecular Weight 508.5677
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEUTEROPORPHYRIN IX

SMILES

CC1=CC2=CC3=NC(=CC4=NC(=CC5=NC(C=C5C)=CC1=N2)C(C)=C4CCC(O)=O)C(CCC(O)=O)=C3C

InChI

InChIKey=KWKUIRGQJJFUCG-LMKUSPAJSA-N
InChI=1S/C30H30N4O4/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20/h9-14,31,34H,5-8H2,1-4H3,(H,35,36)(H,37,38)/b19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14-

HIDE SMILES / InChI

Molecular Formula C30H28N4O4
Molecular Weight 508.5677
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
WYN6672X87
Record Status Validated (UNII)
Record Version