sodium 2-[[4-bromanyl-9,10-bis(oxidanylidene)anthracen-1-yl]-methyl-amino]-2-oxidanylidene-ethanesulfonate

Systemtic Name: sodium 2-[[4-bromanyl-9,10-bis(oxidanylidene)anthracen-1-yl]-methyl-amino]-2-oxidanylidene-ethanesulfonate Openeye Name: sodium 2-[(4-bromo-9,10-dioxo-1-anthryl)-methyl-amino]-2-oxo-ethanesulfonate CAS Name: sodium 2-[(4-bromo-9,10-dioxo-1-anthracenyl)-methylamino]-2-oxoethanesulfonate IUPAC Name: sodium 2-[(4-bromo-9,10-dioxoanthracen-1-yl)-methylamino]-2-oxoethanesulfonate Traditional Name: sodium 2-[(4-bromo-9,10-diketo-1-anthryl)-methyl-amino]-2-keto-ethanesulfonate Formula: C17H11BrNNaO6S MolecularWeight: 460.23111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrNO6S.Na/c1-19(13(20)8-26(23,24)25)12-7-6-11(18)14-15(12)17(22)10-5-3-2-4-9(10)16(14)21;/h2-7H,8H2,1H3,(H,23,24,25);/q;+1/p-1