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

Systemtic Name: 4-azanyl-2,6-bis(4-butylphenoxy)-1,5,8-tris(oxidanyl)anthracene-9,10-dione Openeye Name: 4-amino-2,6-bis(4-butylphenoxy)-1,5,8-trihydroxy-anthracene-9,10-dione CAS Name: 4-amino-2,6-bis(4-butylphenoxy)-1,5,8-trihydroxyanthracene-9,10-dione IUPAC Name: 4-amino-2,6-bis(4-butylphenoxy)-1,5,8-trihydroxyanthracene-9,10-dione Traditional Name: 4-amino-2,6-bis(4-butylphenoxy)-1,5,8-trihydroxy-9,10-anthraquinone Formula: C34H33NO7 MolecularWeight: 567.62832

Click to see the large picture

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)CCCC)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)CCCC)O)O

InChI

InChI=1S/C34H33NO7/c1-3-5-7-19-9-13-21(14-10-19)41-25-17-23(35)27-29(31(25)37)34(40)28-24(36)18-26(32(38)30(28)33(27)39)42-22-15-11-20(12-16-22)8-6-4-2/h9-18,36-38H,3-8,35H2,1-2H3