4-bromanyl-1-nitro-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 4-bromanyl-1-nitro-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 4-bromo-1-nitro-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 4-bromo-1-nitro-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 4-bromo-1-nitro-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 4-bromo-9,10-diketo-1-nitro-anthracene-2-sulfonic acid Formula: C14H6BrNO7S MolecularWeight: 412.16894

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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

Isomeric SMILES

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

InChI

InChI=1S/C14H6BrNO7S/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)