1-[[4-[1,5-bis(oxidanyl)pentan-3-ylsulfonyl]phenyl]amino]anthracene-9,10-dione

Systemtic Name: 1-[[4-[1,5-bis(oxidanyl)pentan-3-ylsulfonyl]phenyl]amino]anthracene-9,10-dione Openeye Name: 1-[4-[3-hydroxy-1-(2-hydroxyethyl)propyl]sulfonylanilino]anthracene-9,10-dione CAS Name: 1-[4-(1,5-dihydroxypentan-3-ylsulfonyl)anilino]anthracene-9,10-dione IUPAC Name: 1-[4-(1,5-dihydroxypentan-3-ylsulfonyl)anilino]anthracene-9,10-dione Traditional Name: 1-[4-[3-hydroxy-1-(2-hydroxyethyl)propyl]sulfonylanilino]-9,10-anthraquinone Formula: C25H23NO6S MolecularWeight: 465.51822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC4=CC=C(C=C4)S(=O)(=O)C(CCO)CCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC4=CC=C(C=C4)S(=O)(=O)C(CCO)CCO

InChI

InChI=1S/C25H23NO6S/c27-14-12-18(13-15-28)33(31,32)17-10-8-16(9-11-17)26-22-7-3-6-21-23(22)25(30)20-5-2-1-4-19(20)24(21)29/h1-11,18,26-28H,12-15H2