3,10-Diamino-6,13-dichloro-4,11-triphenodioxazinedisulfonic acid structure

3,10-Diamino-6,13-dichloro-4,11-triphenodioxazinedisulfonic acid

10-amino-6,13-dichloro-3-imino-7H-[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid

Also Known As: Bio1B11|J3.672.767E|3,10-Diamino-6,13-dichloro-4,11-triphenodioxazinedisulfonic acid|3,10-diamino-6,13-dichloro-[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid|3,10-DIAMINO-6,13-DICHLORO-5,12-DIOXA-7,14-DIAZAPENTACENE-4,11-DISULFONIC ACID|3,10-Diamino-6,13-dichloro[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid

CAS: 98210-99-2
Molecular Formula C18H10Cl2N4O8S2
Molecular Weight 543.9317 g/mol
LogP 3.64377
Topological Polar Surface Area 205.9 Ų
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 10
Rotatable Bonds 2
Exact Mass 543.9317
Monoisotopic Mass 543.9317
Heavy Atoms 34
Complexity 1820.6539

Chemical Identifiers

CAS Number 98210-99-2
SMILES C1=CC2=C(C(=C1N)S(=O)(=O)O)OC3=C(C4=C(C(=C3N2)Cl)OC5=C(C(=N)C=CC5=N4)S(=O)(=O)O)Cl

Product Overview

3,10-Diamino-6,13-dichloro-4,11-triphenodioxazinedisulfonic acid (CAS 98210-99-2), with molecular formula C18H10Cl2N4O8S2 and molecular weight 543.9317 g/mol. IUPAC: 10-amino-6,13-dichloro-3-imino-7H-[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid.

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