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Details

Stereochemistry ACHIRAL
Molecular Formula C36H46N4
Molecular Weight 534.7772
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3,7,8,12,13,17,18-Octaetioporphyrin

SMILES

CCC1=C(CC)C2=CC3=NC(=CC4=C(CC)C(CC)=C(N4)C=C5N=C(C=C1N2)C(CC)=C5CC)C(CC)=C3CC

InChI

InChIKey=HCIIFBHDBOCSAF-MUZKIALCSA-N
InChI=1S/C36H46N4/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30/h17-20,37,40H,9-16H2,1-8H3/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-

HIDE SMILES / InChI

Molecular Formula C36H44N4
Molecular Weight 532.7614
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
PD85YF7CEP
Record Status Validated (UNII)
Record Version