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2-[(pentylamino)methyl]anthracene-9,10-dione; phosphoric acid

2-[(pentylamino)methyl]anthracene-9,10-dione; phosphoric acid

Systemtic Name:2-[(pentylamino)methyl]anthracene-9,10-dione; phosphoric acid
Openeye Name:2-[(pentylamino)methyl]anthracene-9,10-dione; phosphoric acid
CAS Name:2-[(pentylamino)methyl]anthracene-9,10-dione; phosphoric acid
IUPAC Name:2-[(pentylamino)methyl]anthracene-9,10-dione; phosphoric acid
Traditional Name:2-[(amylamino)methyl]-9,10-anthraquinone; phosphoric acid
Formula: C20H24NO6P
MolecularWeight: 405.381421
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O.OP(=O)(O)O


Isomeric SMILES

CCCCCNCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O.OP(=O)(O)O


InChI

InChI=1S/C20H21NO2.H3O4P/c1-2-3-6-11-21-13-14-9-10-17-18(12-14)20(23)16-8-5-4-7-15(16)19(17)22;1-5(2,3)4/h4-5,7-10,12,21H,2-3,6,11,13H2,1H3;(H3,1,2,3,4)


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