2-oxidanylidene-2-(3,6,8-trisulfonaphthalen-2-yl)oxy-ethanoate

Systemtic Name: 2-oxidanylidene-2-(3,6,8-trisulfonaphthalen-2-yl)oxy-ethanoate Openeye Name: 2-oxo-2-[(3,6,8-trisulfo-2-naphthyl)oxy]acetate CAS Name: 2-oxo-2-[(3,6,8-trisulfo-2-naphthalenyl)oxy]acetate IUPAC Name: 2-oxo-2-(3,6,8-trisulfonaphthalen-2-yl)oxyacetate Traditional Name: 2-keto-2-(3,6,8-trisulfo-2-naphthoxy)acetate Formula: C12H7O13S3- MolecularWeight: 455.37118

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C=C(C2=CC(=C1S(=O)(=O)O)OC(=O)C(=O)[O-])S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=C2C=C(C=C(C2=CC(=C1S(=O)(=O)O)OC(=O)C(=O)[O-])S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H8O13S3/c13-11(14)12(15)25-8-4-7-5(2-10(8)28(22,23)24)1-6(26(16,17)18)3-9(7)27(19,20)21/h1-4H,(H,13,14)(H,16,17,18)(H,19,20,21)(H,22,23,24)/p-1