4-azanyl-2-(4-butylphenoxy)-6-(4-methylphenoxy)-1,5,8-tris(oxidanyl)anthracene-9,10-dione

Systemtic Name: 4-azanyl-2-(4-butylphenoxy)-6-(4-methylphenoxy)-1,5,8-tris(oxidanyl)anthracene-9,10-dione Openeye Name: 4-amino-2-(4-butylphenoxy)-1,5,8-trihydroxy-6-(4-methylphenoxy)anthracene-9,10-dione CAS Name: 4-amino-2-(4-butylphenoxy)-1,5,8-trihydroxy-6-(4-methylphenoxy)anthracene-9,10-dione IUPAC Name: 4-amino-2-(4-butylphenoxy)-1,5,8-trihydroxy-6-(4-methylphenoxy)anthracene-9,10-dione Traditional Name: 4-amino-2-(4-butylphenoxy)-1,5,8-trihydroxy-6-(4-methylphenoxy)-9,10-anthraquinone Formula: C31H27NO7 MolecularWeight: 525.54858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OC2=C(C3=C(C(=C2)N)C(=O)C4=C(C3=O)C(=CC(=C4O)OC5=CC=C(C=C5)C)O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)OC2=C(C3=C(C(=C2)N)C(=O)C4=C(C3=O)C(=CC(=C4O)OC5=CC=C(C=C5)C)O)O

InChI

InChI=1S/C31H27NO7/c1-3-4-5-17-8-12-19(13-9-17)38-22-14-20(32)24-26(28(22)34)31(37)25-21(33)15-23(29(35)27(25)30(24)36)39-18-10-6-16(2)7-11-18/h6-15,33-35H,3-5,32H2,1-2H3