1-azanyl-2-[2,4-di(butan-2-yl)phenoxy]-4-oxidanyl-anthracene-9,10-dione

Systemtic Name: 1-azanyl-2-[2,4-di(butan-2-yl)phenoxy]-4-oxidanyl-anthracene-9,10-dione Openeye Name: 1-amino-2-(2,4-disec-butylphenoxy)-4-hydroxy-anthracene-9,10-dione CAS Name: 1-amino-2-[2,4-di(butan-2-yl)phenoxy]-4-hydroxyanthracene-9,10-dione IUPAC Name: 1-amino-2-[2,4-di(butan-2-yl)phenoxy]-4-hydroxyanthracene-9,10-dione Traditional Name: 1-amino-2-(2,4-disec-butylphenoxy)-4-hydroxy-9,10-anthraquinone Formula: C28H29NO4 MolecularWeight: 443.53416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N)C(C)CC

Isomeric SMILES

CCC(C)C1=CC(=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N)C(C)CC

InChI

InChI=1S/C28H29NO4/c1-5-15(3)17-11-12-22(20(13-17)16(4)6-2)33-23-14-21(30)24-25(26(23)29)28(32)19-10-8-7-9-18(19)27(24)31/h7-16,30H,5-6,29H2,1-4H3