1,8-bis(oxidanyl)-3-[(3-oxidanylpropylamino)methyl]anthracene-9,10-dione

Systemtic Name: 1,8-bis(oxidanyl)-3-[(3-oxidanylpropylamino)methyl]anthracene-9,10-dione Openeye Name: 1,8-dihydroxy-3-[(3-hydroxypropylamino)methyl]anthracene-9,10-dione CAS Name: 1,8-dihydroxy-3-[(3-hydroxypropylamino)methyl]anthracene-9,10-dione IUPAC Name: 1,8-dihydroxy-3-[(3-hydroxypropylamino)methyl]anthracene-9,10-dione Traditional Name: 1,8-dihydroxy-3-[(3-hydroxypropylamino)methyl]-9,10-anthraquinone Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CNCCCO)O

Isomeric SMILES

C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CNCCCO)O

InChI

InChI=1S/C18H17NO5/c20-6-2-5-19-9-10-7-12-16(14(22)8-10)18(24)15-11(17(12)23)3-1-4-13(15)21/h1,3-4,7-8,19-22H,2,5-6,9H2