6-(4-butylphenyl)-4-(methylamino)-1-oxidanyl-anthracene-9,10-dione

Systemtic Name: 6-(4-butylphenyl)-4-(methylamino)-1-oxidanyl-anthracene-9,10-dione Openeye Name: 6-(4-butylphenyl)-1-hydroxy-4-(methylamino)anthracene-9,10-dione CAS Name: 6-(4-butylphenyl)-1-hydroxy-4-(methylamino)anthracene-9,10-dione IUPAC Name: 6-(4-butylphenyl)-1-hydroxy-4-(methylamino)anthracene-9,10-dione Traditional Name: 6-(4-butylphenyl)-1-hydroxy-4-(methylamino)-9,10-anthraquinone Formula: C25H23NO3 MolecularWeight: 385.45502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC3=C(C=C2)C(=O)C4=C(C=CC(=C4C3=O)NC)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC3=C(C=C2)C(=O)C4=C(C=CC(=C4C3=O)NC)O

InChI

InChI=1S/C25H23NO3/c1-3-4-5-15-6-8-16(9-7-15)17-10-11-18-19(14-17)25(29)22-20(26-2)12-13-21(27)23(22)24(18)28/h6-14,26-27H,3-5H2,1-2H3