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Reference substances

Reference substances

Currently viewing:
IUPAC name:
1,5-diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone

Inventory

EC number:
250-547-6
EC name:
1,5-diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone
CAS number:
31288-44-5
CAS number:
31288-44-5
Synonyms
Names:
9,10-Anthracenedione, 1,5-diamino-4,8-dihydroxy(4-methoxyphenyl)-
Identifier:
CAS number
13698-89-0
Identifier:
IUPAC name
1,5-diamino-4,8-dihydroxy-(4-methoxyphenyl)anthraquinone
Identifier:
IUPAC name
1,5-diamino-4,8-dihydroxy-2-(4-methoxyphenyl)-9,10-anthraquinone
Identifier:
other: SMILES notation
COc1ccc(cc1)c2cc(O)c3C(=O)c4c(N)ccc(O)c4C(=O)c3c2N
Identifier:
other: SMILES notation
COc4ccc(c3cc(O)c2c(=O)c1c(N)ccc(O)c1c(=O)c2c3N)cc4

Molecular and structural information

Molecular formula:
C21H16N2O5
Molecular weight:
ca. 376.36
SMILES notation:
OC1=C2C(C(C(C(O)=CC(C3=CC=C(OC)C=C3)=C4N)=C4C2=O)=O)=C(N)C=C1
InChl:
InChI=1/C21H16N2O5/c1-28-10-4-2-9(3-5-10)11-8-14(25)17-18(19(11)23)21(27)16-13(24)7-6-12(22)15(16)20(17)26/h2-8,24-25H,22-23H2,1H3
Structural formula:
Chemical structure

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