U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C28H16Cl2N2O2
Molecular Weight 483.345
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of N-[6-[[chloro(phenyl)methylidene]amino]-9,10-dioxoanthracen-2-yl]benzenecarboximidoylchloride

SMILES

Cl\C(C1=CC=CC=C1)=N/C2=CC=C3C(=O)C4=CC(=CC=C4C(=O)C3=C2)\N=C(/Cl)C5=CC=CC=C5

InChI

InChIKey=SXMJAAZDNXOTAM-YDWWYXFJSA-N
InChI=1S/C28H16Cl2N2O2/c29-27(17-7-3-1-4-8-17)31-19-11-13-21-23(15-19)25(33)22-14-12-20(16-24(22)26(21)34)32-28(30)18-9-5-2-6-10-18/h1-16H/b31-27-,32-28-

HIDE SMILES / InChI

Molecular Formula C28H16Cl2N2O2
Molecular Weight 483.345
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
C6CX34C6YE
Record Status Validated (UNII)
Record Version