sodium 4-bromanyl-1-nitro-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 4-bromanyl-1-nitro-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 4-bromo-1-nitro-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 4-bromo-1-nitro-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 4-bromo-1-nitro-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 4-bromo-9,10-diketo-1-nitro-anthracene-2-sulfonate Formula: C14H5BrNNaO7S MolecularWeight: 434.15077

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)[N+](=O)[O-])S(=O)(=O)[O-])Br.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)[N+](=O)[O-])S(=O)(=O)[O-])Br.[Na+]

InChI

InChI=1S/C14H6BrNO7S.Na/c15-8-5-9(24(21,22)23)12(16(19)20)11-10(8)13(17)6-3-1-2-4-7(6)14(11)18;/h1-5H,(H,21,22,23);/q;+1/p-1