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

Systemtic Name: 4,8-bis(azanyl)-2-(4-hexoxyphenyl)-1,5-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 4,8-diamino-2-(4-hexoxyphenyl)-1,5-dihydroxy-anthracene-9,10-dione CAS Name: 4,8-diamino-2-(4-hexoxyphenyl)-1,5-dihydroxyanthracene-9,10-dione IUPAC Name: 4,8-diamino-2-(4-hexoxyphenyl)-1,5-dihydroxyanthracene-9,10-dione Traditional Name: 4,8-diamino-2-(4-hexoxyphenyl)-1,5-dihydroxy-9,10-anthraquinone Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CC(=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)N)N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CC(=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)N)N

InChI

InChI=1S/C26H26N2O5/c1-2-3-4-5-12-33-15-8-6-14(7-9-15)16-13-18(28)21-23(24(16)30)26(32)20-17(27)10-11-19(29)22(20)25(21)31/h6-11,13,29-30H,2-5,12,27-28H2,1H3