1-[[4-(4-methylhexyl)phenyl]amino]-4-oxidanyl-anthracene-9,10-dione

Systemtic Name: 1-[[4-(4-methylhexyl)phenyl]amino]-4-oxidanyl-anthracene-9,10-dione Openeye Name: 1-hydroxy-4-[4-(4-methylhexyl)anilino]anthracene-9,10-dione CAS Name: 1-hydroxy-4-[4-(4-methylhexyl)anilino]anthracene-9,10-dione IUPAC Name: 1-hydroxy-4-[4-(4-methylhexyl)anilino]anthracene-9,10-dione Traditional Name: 1-hydroxy-4-[4-(4-methylhexyl)anilino]-9,10-anthraquinone Formula: C27H27NO3 MolecularWeight: 413.50818

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCC1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCC(C)CCCC1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C27H27NO3/c1-3-17(2)7-6-8-18-11-13-19(14-12-18)28-22-15-16-23(29)25-24(22)26(30)20-9-4-5-10-21(20)27(25)31/h4-5,9-17,28-29H,3,6-8H2,1-2H3