sodium 9,10-bis(oxidanylidene)-2-phenoxy-1H-anthracene-1,2,3-trisulfonate trihydrate

Systemtic Name: sodium 9,10-bis(oxidanylidene)-2-phenoxy-1H-anthracene-1,2,3-trisulfonate trihydrate Openeye Name: sodium 9,10-dioxo-2-phenoxy-1H-anthracene-1,2,3-trisulfonate trihydrate CAS Name: sodium 9,10-dioxo-2-phenoxy-1H-anthracene-1,2,3-trisulfonate trihydrate IUPAC Name: sodium 9,10-dioxo-2-phenoxy-1H-anthracene-1,2,3-trisulfonate trihydrate Traditional Name: sodium 9,10-diketo-2-phenoxy-1H-anthracene-1,2,3-trisulfonate trihydrate Formula: C20H17NaO15S3-2 MolecularWeight: 616.52475

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2(C(C3=C(C=C2S(=O)(=O)[O-])C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)[O-])S(=O)(=O)[O-].O.O.O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)OC2(C(C3=C(C=C2S(=O)(=O)[O-])C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)[O-])S(=O)(=O)[O-].O.O.O.[Na+]

InChI

InChI=1S/C20H14O12S3.Na.3H2O/c21-17-12-8-4-5-9-13(12)18(22)16-14(17)10-15(33(23,24)25)20(35(29,30)31,19(16)34(26,27)28)32-11-6-2-1-3-7-11;;;;/h1-10,19H,(H,23,24,25)(H,26,27,28)(H,29,30,31);;3*1H2/q;+1;;;/p-3