5-azanyl-6-(4-butylphenoxy)-8-oxidanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid

Systemtic Name: 5-azanyl-6-(4-butylphenoxy)-8-oxidanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid Openeye Name: 5-amino-6-(4-butylphenoxy)-8-hydroxy-9,10-dioxo-anthracene-2-carboxylic acid CAS Name: 5-amino-6-(4-butylphenoxy)-8-hydroxy-9,10-dioxo-2-anthracenecarboxylic acid IUPAC Name: 5-amino-6-(4-butylphenoxy)-8-hydroxy-9,10-dioxoanthracene-2-carboxylic acid Traditional Name: 5-amino-6-(4-butylphenoxy)-8-hydroxy-9,10-diketo-anthracene-2-carboxylic acid Formula: C25H21NO6 MolecularWeight: 431.43734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=C(C3=O)C=CC(=C4)C(=O)O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=C(C3=O)C=CC(=C4)C(=O)O)N

InChI

InChI=1S/C25H21NO6/c1-2-3-4-13-5-8-15(9-6-13)32-19-12-18(27)20-21(22(19)26)23(28)16-10-7-14(25(30)31)11-17(16)24(20)29/h5-12,27H,2-4,26H2,1H3,(H,30,31)