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Structure

p-[4,8-Diamino-1,5-dihydroxy-9,10-dihydro-9,10-dioxo-2-anthryl]phenyl benzoate

CAS
4104-49-8
Catalog Number
ACM4104498
Category
Other Products
Molecular Weight
466.441620 [g/mol]
Molecular Formula
C27H18N2O6

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Specification

Synonyms
CID77744, EINECS 223-876-8, p-(4,8-Diamino-1,5-dihydroxy-9,10-dihydro-9,10-dioxo-2-anthryl)phenyl benzoate, 1,5-Diamino-3-(4-(benzoyloxy)phenyl)-4,8-dihydroxy-9,10-anthracenedione, 9,10-Anthracenedione, 4,8-diamino-2-(4-(benzoyloxy)phenyl)-1,5-dihydroxy-, 4104-49-8
IUPAC Name
[4-(4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracen-2-yl)phenyl] benzoate
Canonical SMILES
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC(=C4C(=C3O)C(=O)C5=C(C=CC(=C5C4=O)O)N)N
InChI Key
UTKGUAAJNFVYMR-UHFFFAOYSA-N
Boiling Point
801.5ºC at 760 mmHg
Flash Point
438.5ºC
Density
1.508g/cm³
EC Number
223-876-8
Exact Mass
466.11600
H-Bond Acceptor
8
H-Bond Donor
4
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