3-(butylaminomethyl)-1,8-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 3-(butylaminomethyl)-1,8-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 3-(butylaminomethyl)-1,8-dihydroxy-anthracene-9,10-dione CAS Name: 3-(butylaminomethyl)-1,8-dihydroxyanthracene-9,10-dione IUPAC Name: 3-(butylaminomethyl)-1,8-dihydroxyanthracene-9,10-dione Traditional Name: 3-(butylaminomethyl)-1,8-dihydroxy-9,10-anthraquinone Formula: C19H19NO4 MolecularWeight: 325.35846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)O

Isomeric SMILES

CCCCNCC1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)O

InChI

InChI=1S/C19H19NO4/c1-2-3-7-20-10-11-8-13-17(15(22)9-11)19(24)16-12(18(13)23)5-4-6-14(16)21/h4-6,8-9,20-22H,2-3,7,10H2,1H3