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

Systemtic Name: 4,8-bis(azanyl)-2-chloranyl-1,5-bis(oxidanyl)-6-(4-pentoxyphenyl)anthracene-9,10-dione Openeye Name: 4,8-diamino-2-chloro-1,5-dihydroxy-6-(4-pentoxyphenyl)anthracene-9,10-dione CAS Name: 4,8-diamino-2-chloro-1,5-dihydroxy-6-(4-pentoxyphenyl)anthracene-9,10-dione IUPAC Name: 4,8-diamino-2-chloro-1,5-dihydroxy-6-(4-pentoxyphenyl)anthracene-9,10-dione Traditional Name: 4,8-diamino-2-(4-amoxyphenyl)-6-chloro-1,5-dihydroxy-9,10-anthraquinone Formula: C25H23ClN2O5 MolecularWeight: 466.91352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CC(=C3C(=C2O)C(=O)C4=C(C3=O)C(=C(C=C4N)Cl)O)N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CC(=C3C(=C2O)C(=O)C4=C(C3=O)C(=C(C=C4N)Cl)O)N

InChI

InChI=1S/C25H23ClN2O5/c1-2-3-4-9-33-13-7-5-12(6-8-13)14-10-16(27)18-20(22(14)29)24(31)19-17(28)11-15(26)23(30)21(19)25(18)32/h5-8,10-11,29-30H,2-4,9,27-28H2,1H3