3-azanyl-6-butyl-1,2,5-tris(oxidanyl)anthracene-9,10-dione

Systemtic Name: 3-azanyl-6-butyl-1,2,5-tris(oxidanyl)anthracene-9,10-dione Openeye Name: 3-amino-6-butyl-1,2,5-trihydroxy-anthracene-9,10-dione CAS Name: 3-amino-6-butyl-1,2,5-trihydroxyanthracene-9,10-dione IUPAC Name: 3-amino-6-butyl-1,2,5-trihydroxyanthracene-9,10-dione Traditional Name: 3-amino-6-butyl-1,2,5-trihydroxy-9,10-anthraquinone Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=C1)C(=O)C3=C(C(=C(C=C3C2=O)N)O)O)O

Isomeric SMILES

CCCCC1=C(C2=C(C=C1)C(=O)C3=C(C(=C(C=C3C2=O)N)O)O)O

InChI

InChI=1S/C18H17NO5/c1-2-3-4-8-5-6-9-12(14(8)20)16(22)10-7-11(19)17(23)18(24)13(10)15(9)21/h5-7,20,23-24H,2-4,19H2,1H3