2,4-bis(hexylamino)-8-nitro-1,5-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 2,4-bis(hexylamino)-8-nitro-1,5-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 2,4-bis(hexylamino)-1,5-dihydroxy-8-nitro-anthracene-9,10-dione CAS Name: 2,4-bis(hexylamino)-1,5-dihydroxy-8-nitroanthracene-9,10-dione IUPAC Name: 2,4-bis(hexylamino)-1,5-dihydroxy-8-nitroanthracene-9,10-dione Traditional Name: 2,4-bis(hexylamino)-1,5-dihydroxy-8-nitro-9,10-anthraquinone Formula: C26H33N3O6 MolecularWeight: 483.55672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=CC(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)[N+](=O)[O-])O)O)NCCCCCC

Isomeric SMILES

CCCCCCNC1=CC(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)[N+](=O)[O-])O)O)NCCCCCC

InChI

InChI=1S/C26H33N3O6/c1-3-5-7-9-13-27-16-15-17(28-14-10-8-6-4-2)24(31)23-20(16)25(32)22-19(30)12-11-18(29(34)35)21(22)26(23)33/h11-12,15,27-28,30-31H,3-10,13-14H2,1-2H3