1-[(3-butylsulfonyl-4-methyl-phenyl)amino]-4-oxidanyl-anthracene-9,10-dione

Systemtic Name: 1-[(3-butylsulfonyl-4-methyl-phenyl)amino]-4-oxidanyl-anthracene-9,10-dione Openeye Name: 1-(3-butylsulfonyl-4-methyl-anilino)-4-hydroxy-anthracene-9,10-dione CAS Name: 1-(3-butylsulfonyl-4-methylanilino)-4-hydroxyanthracene-9,10-dione IUPAC Name: 1-(3-butylsulfonyl-4-methylanilino)-4-hydroxyanthracene-9,10-dione Traditional Name: 1-(3-butylsulfonyl-4-methyl-anilino)-4-hydroxy-9,10-anthraquinone Formula: C25H23NO5S MolecularWeight: 449.51882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO5S/c1-3-4-13-32(30,31)21-14-16(10-9-15(21)2)26-19-11-12-20(27)23-22(19)24(28)17-7-5-6-8-18(17)25(23)29/h5-12,14,26-27H,3-4,13H2,1-2H3