4-[(4-acetamidophenyl)amino]-1-azanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid; 2-morpholin-4-ylethanol

Systemtic Name: 4-[(4-acetamidophenyl)amino]-1-azanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid; 2-morpholin-4-ylethanol Openeye Name: 4-(4-acetamidoanilino)-1-amino-9,10-dioxo-anthracene-2-sulfonic acid; 2-morpholinoethanol CAS Name: 4-(4-acetamidoanilino)-1-amino-9,10-dioxo-2-anthracenesulfonic acid; 2-(4-morpholinyl)ethanol IUPAC Name: 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid; 2-morpholin-4-ylethanol Traditional Name: 4-(4-acetamidoanilino)-1-amino-9,10-diketo-anthracene-2-sulfonic acid; 2-morpholinoethanol Formula: C28H30N4O8S MolecularWeight: 582.6248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O.C1COCCN1CCO

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O.C1COCCN1CCO

InChI

InChI=1S/C22H17N3O6S.C6H13NO2/c1-11(26)24-12-6-8-13(9-7-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-4-2-3-5-15(14)22(19)28;8-4-1-7-2-5-9-6-3-7/h2-10,25H,23H2,1H3,(H,24,26)(H,29,30,31);8H,1-6H2