disodium 4-[9,10-bis(oxidanylidene)anthracen-2-yl]oxybenzene-1,3-disulfonate

Systemtic Name: disodium 4-[9,10-bis(oxidanylidene)anthracen-2-yl]oxybenzene-1,3-disulfonate Openeye Name: disodium 4-[(9,10-dioxo-2-anthryl)oxy]benzene-1,3-disulfonate CAS Name: disodium 4-[(9,10-dioxo-2-anthracenyl)oxy]benzene-1,3-disulfonate IUPAC Name: disodium 4-(9,10-dioxoanthracen-2-yl)oxybenzene-1,3-disulfonate Traditional Name: disodium 4-[(9,10-diketo-2-anthryl)oxy]benzene-1,3-disulfonate Formula: C20H10Na2O9S2 MolecularWeight: 504.39754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)OC4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)OC4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H12O9S2.2Na/c21-19-13-3-1-2-4-14(13)20(22)16-9-11(5-7-15(16)19)29-17-8-6-12(30(23,24)25)10-18(17)31(26,27)28;;/h1-10H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2