tetraazanium 9,10-bis(oxidanylidene)-2-phenoxy-1H-anthracene-1,2,3,4-tetrasulfonate

Systemtic Name: tetraazanium 9,10-bis(oxidanylidene)-2-phenoxy-1H-anthracene-1,2,3,4-tetrasulfonate Openeye Name: tetraammonium 9,10-dioxo-2-phenoxy-1H-anthracene-1,2,3,4-tetrasulfonate CAS Name: tetraammonium 9,10-dioxo-2-phenoxy-1H-anthracene-1,2,3,4-tetrasulfonate IUPAC Name: tetraazanium 9,10-dioxo-2-phenoxy-1H-anthracene-1,2,3,4-tetrasulfonate Traditional Name: tetraammonium 9,10-diketo-2-phenoxy-1H-anthracene-1,2,3,4-tetrasulfonate Formula: C20H26N4O15S4 MolecularWeight: 690.69824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2(C(C3=C(C(=C2S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+]

Isomeric SMILES

C1=CC=C(C=C1)OC2(C(C3=C(C(=C2S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/C20H14O15S4.4H3N/c21-15-11-8-4-5-9-12(11)16(22)14-13(15)17(36(23,24)25)19(38(29,30)31)20(39(32,33)34,18(14)37(26,27)28)35-10-6-2-1-3-7-10;;;;/h1-9,18H,(H,23,24,25)(H,26,27,28)(H,29,30,31)(H,32,33,34);4*1H3