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

Systemtic Name: 4,8-bis(azanyl)-2-chloranyl-6-(4-heptoxyphenyl)-1,5-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 4,8-diamino-2-chloro-6-(4-heptoxyphenyl)-1,5-dihydroxy-anthracene-9,10-dione CAS Name: 4,8-diamino-2-chloro-6-(4-heptoxyphenyl)-1,5-dihydroxyanthracene-9,10-dione IUPAC Name: 4,8-diamino-2-chloro-6-(4-heptoxyphenyl)-1,5-dihydroxyanthracene-9,10-dione Traditional Name: 4,8-diamino-2-chloro-6-(4-heptoxyphenyl)-1,5-dihydroxy-9,10-anthraquinone Formula: C27H27ClN2O5 MolecularWeight: 494.96668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC(=C3C(=C2O)C(=O)C4=C(C3=O)C(=C(C=C4N)Cl)O)N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC(=C3C(=C2O)C(=O)C4=C(C3=O)C(=C(C=C4N)Cl)O)N

InChI

InChI=1S/C27H27ClN2O5/c1-2-3-4-5-6-11-35-15-9-7-14(8-10-15)16-12-18(29)20-22(24(16)31)26(33)21-19(30)13-17(28)25(32)23(21)27(20)34/h7-10,12-13,31-32H,2-6,11,29-30H2,1H3