copper 9,10-bis(oxidanylidene)phenanthrene-2-sulfonate

Systemtic Name: copper 9,10-bis(oxidanylidene)phenanthrene-2-sulfonate Openeye Name: copper 9,10-dioxophenanthrene-2-sulfonate CAS Name: copper 9,10-dioxo-2-phenanthrenesulfonate IUPAC Name: copper 9,10-dioxophenanthrene-2-sulfonate Traditional Name: cupric 9,10-diketophenanthrene-2-sulfonate Formula: C28H14CuO10S2 MolecularWeight: 638.08076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(C=C(C=C3)S(=O)(=O)[O-])C(=O)C2=O.C1=CC=C2C(=C1)C3=C(C=C(C=C3)S(=O)(=O)[O-])C(=O)C2=O.[Cu+2]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(C=C(C=C3)S(=O)(=O)[O-])C(=O)C2=O.C1=CC=C2C(=C1)C3=C(C=C(C=C3)S(=O)(=O)[O-])C(=O)C2=O.[Cu+2]

InChI

InChI=1S/2C14H8O5S.Cu/c2*15-13-11-4-2-1-3-9(11)10-6-5-8(20(17,18)19)7-12(10)14(13)16;/h2*1-7H,(H,17,18,19);/q;;+2/p-2