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Details

Stereochemistry ACHIRAL
Molecular Formula C36H20N2O4
Molecular Weight 544.555
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of SCYTONEMIN

SMILES

OC1=CC=C(C=C2C(=O)C(C3=C4C5=CC=CC=C5N=C4C(=CC6=CC=C(O)C=C6)C3=O)=C7C8=CC=CC=C8N=C27)C=C1

InChI

InChIKey=CGZKSPLDUIRCIO-MFYXSQMNSA-N
InChI=1S/C36H20N2O4/c39-21-13-9-19(10-14-21)17-25-33-29(23-5-1-3-7-27(23)37-33)31(35(25)41)32-30-24-6-2-4-8-28(24)38-34(30)26(36(32)42)18-20-11-15-22(40)16-12-20/h1-18,39-40H/b25-17-,26-18-

HIDE SMILES / InChI

Molecular Formula C36H20N2O4
Molecular Weight 544.555
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
VPQ7YG2DMW
Record Status Validated (UNII)
Record Version