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

Systemtic Name: sodium 1-azanyl-4-bromanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-bromo-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-bromo-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-bromo-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-bromo-9,10-diketo-anthracene-2-sulfonate Formula: C14H7BrNNaO5S MolecularWeight: 404.16785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8BrNO5S.Na/c15-8-5-9(22(19,20)21)12(16)11-10(8)13(17)6-3-1-2-4-7(6)14(11)18;/h1-5H,16H2,(H,19,20,21);/q;+1/p-1