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

Systemtic Name: 4,8-bis(azanyl)-2-(4-heptoxyphenyl)-1,5-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 4,8-diamino-2-(4-heptoxyphenyl)-1,5-dihydroxy-anthracene-9,10-dione CAS Name: 4,8-diamino-2-(4-heptoxyphenyl)-1,5-dihydroxyanthracene-9,10-dione IUPAC Name: 4,8-diamino-2-(4-heptoxyphenyl)-1,5-dihydroxyanthracene-9,10-dione Traditional Name: 4,8-diamino-2-(4-heptoxyphenyl)-1,5-dihydroxy-9,10-anthraquinone Formula: C27H28N2O5 MolecularWeight: 460.52162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC(=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)N)N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC(=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)N)N

InChI

InChI=1S/C27H28N2O5/c1-2-3-4-5-6-13-34-16-9-7-15(8-10-16)17-14-19(29)22-24(25(17)31)27(33)21-18(28)11-12-20(30)23(21)26(22)32/h7-12,14,30-31H,2-6,13,28-29H2,1H3