1,4-bis(fluoranyl)-2-[(4-nitrophenyl)amino]-3-octoxy-5,8-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 1,4-bis(fluoranyl)-2-[(4-nitrophenyl)amino]-3-octoxy-5,8-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 1,4-difluoro-5,8-dihydroxy-2-(4-nitroanilino)-3-octoxy-anthracene-9,10-dione CAS Name: 1,4-difluoro-5,8-dihydroxy-2-(4-nitroanilino)-3-octoxyanthracene-9,10-dione IUPAC Name: 1,4-difluoro-5,8-dihydroxy-2-(4-nitroanilino)-3-octoxyanthracene-9,10-dione Traditional Name: 1,4-difluoro-5,8-dihydroxy-2-(4-nitroanilino)-3-octoxy-9,10-anthraquinone Formula: C28H26F2N2O7 MolecularWeight: 540.512046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C2=C(C(=C1NC3=CC=C(C=C3)[N+](=O)[O-])F)C(=O)C4=C(C=CC(=C4C2=O)O)O)F

Isomeric SMILES

CCCCCCCCOC1=C(C2=C(C(=C1NC3=CC=C(C=C3)[N+](=O)[O-])F)C(=O)C4=C(C=CC(=C4C2=O)O)O)F

InChI

InChI=1S/C28H26F2N2O7/c1-2-3-4-5-6-7-14-39-28-24(30)22-21(26(35)19-17(33)12-13-18(34)20(19)27(22)36)23(29)25(28)31-15-8-10-16(11-9-15)32(37)38/h8-13,31,33-34H,2-7,14H2,1H3