8-bromanyl-1-oxidanyl-9,10-bis(oxidanylidene)-5-(propan-2-ylamino)anthracene-2-sulfonic acid

Systemtic Name: 8-bromanyl-1-oxidanyl-9,10-bis(oxidanylidene)-5-(propan-2-ylamino)anthracene-2-sulfonic acid Openeye Name: 8-bromo-1-hydroxy-5-(isopropylamino)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 8-bromo-1-hydroxy-9,10-dioxo-5-(propan-2-ylamino)-2-anthracenesulfonic acid IUPAC Name: 8-bromo-1-hydroxy-9,10-dioxo-5-(propan-2-ylamino)anthracene-2-sulfonic acid Traditional Name: 8-bromo-1-hydroxy-5-(isopropylamino)-9,10-diketo-anthracene-2-sulfonic acid Formula: C17H14BrNO6S MolecularWeight: 440.26516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C2C(=C(C=C1)Br)C(=O)C3=C(C2=O)C=CC(=C3O)S(=O)(=O)O

Isomeric SMILES

CC(C)NC1=C2C(=C(C=C1)Br)C(=O)C3=C(C2=O)C=CC(=C3O)S(=O)(=O)O

InChI

InChI=1S/C17H14BrNO6S/c1-7(2)19-10-5-4-9(18)13-14(10)15(20)8-3-6-11(26(23,24)25)16(21)12(8)17(13)22/h3-7,19,21H,1-2H3,(H,23,24,25)