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

Systemtic Name: sodium 8-bromanyl-1-oxidanyl-9,10-bis(oxidanylidene)-5-(propan-2-ylamino)anthracene-2-sulfonate Openeye Name: sodium 8-bromo-1-hydroxy-5-(isopropylamino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 8-bromo-1-hydroxy-9,10-dioxo-5-(propan-2-ylamino)-2-anthracenesulfonate IUPAC Name: sodium 8-bromo-1-hydroxy-9,10-dioxo-5-(propan-2-ylamino)anthracene-2-sulfonate Traditional Name: sodium 8-bromo-1-hydroxy-5-(isopropylamino)-9,10-diketo-anthracene-2-sulfonate Formula: C17H13BrNNaO6S MolecularWeight: 462.24699

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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-].[Na+]

Isomeric SMILES

CC(C)NC1=C2C(=C(C=C1)Br)C(=O)C3=C(C2=O)C=CC(=C3O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H14BrNO6S.Na/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);/q;+1/p-1