sodium 1-azanyl-4-[(2-ethenylsulfonylphenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-4-[(2-ethenylsulfonylphenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-9,10-dioxo-4-(2-vinylsulfonylanilino)anthracene-2-sulfonate CAS Name: sodium 1-amino-4-(2-ethenylsulfonylanilino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-(2-ethenylsulfonylanilino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-9,10-diketo-4-(2-vinylsulfonylanilino)anthracene-2-sulfonate Formula: C22H15N2NaO7S2 MolecularWeight: 506.48347

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Descriptors Computed from Structure

Canonical SMILES:

C=CS(=O)(=O)C1=CC=CC=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C=CS(=O)(=O)C1=CC=CC=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C22H16N2O7S2.Na/c1-2-32(27,28)16-10-6-5-9-14(16)24-15-11-17(33(29,30)31)20(23)19-18(15)21(25)12-7-3-4-8-13(12)22(19)26;/h2-11,24H,1,23H2,(H,29,30,31);/q;+1/p-1