1,4-bis(heptan-2-ylamino)-5,8-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 1,4-bis(heptan-2-ylamino)-5,8-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 1,4-dihydroxy-5,8-bis(1-methylhexylamino)anthracene-9,10-dione CAS Name: 1,4-bis(heptan-2-ylamino)-5,8-dihydroxyanthracene-9,10-dione IUPAC Name: 1,4-bis(heptan-2-ylamino)-5,8-dihydroxyanthracene-9,10-dione Traditional Name: 1,4-dihydroxy-5,8-bis(1-methylhexylamino)-9,10-anthraquinone Formula: C28H38N2O4 MolecularWeight: 466.61232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC1=C2C(=C(C=C1)NC(C)CCCCC)C(=O)C3=C(C=CC(=C3C2=O)O)O

Isomeric SMILES

CCCCCC(C)NC1=C2C(=C(C=C1)NC(C)CCCCC)C(=O)C3=C(C=CC(=C3C2=O)O)O

InChI

InChI=1S/C28H38N2O4/c1-5-7-9-11-17(3)29-19-13-14-20(30-18(4)12-10-8-6-2)24-23(19)27(33)25-21(31)15-16-22(32)26(25)28(24)34/h13-18,29-32H,5-12H2,1-4H3