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Details

Stereochemistry ACHIRAL
Molecular Formula C46H29N7O6S
Molecular Weight 807.831
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N'-((6-(METHYLTHIO)-1,3,5-TRIAZINE-2,4-DIYL)BIS(IMINO(9,10-DIHYDRO-9,10-DIOXOANTHRACENE-5,1-DIYL)))BIS(BENZAMIDE)

SMILES

CSC1=NC(NC2=CC=CC3=C2C(=O)C4=CC=CC(NC(=O)C5=CC=CC=C5)=C4C3=O)=NC(NC6=CC=CC7=C6C(=O)C8=CC=CC(NC(=O)C9=CC=CC=C9)=C8C7=O)=N1

InChI

InChIKey=PCSLQKFKSMBVDF-UHFFFAOYSA-N
InChI=1S/C46H29N7O6S/c1-60-46-52-44(49-32-22-10-18-28-36(32)40(56)26-16-8-20-30(34(26)38(28)54)47-42(58)24-12-4-2-5-13-24)51-45(53-46)50-33-23-11-19-29-37(33)41(57)27-17-9-21-31(35(27)39(29)55)48-43(59)25-14-6-3-7-15-25/h2-23H,1H3,(H,47,58)(H,48,59)(H2,49,50,51,52,53)

HIDE SMILES / InChI

Molecular Formula C46H29N7O6S
Molecular Weight 807.831
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
8T7BEA4QST
Record Status Validated (UNII)
Record Version