trisodium 8-bis(8-sulfonatodibenzofuran-2-yl)phosphanyldibenzofuran-2-sulfonate

Systemtic Name: trisodium 8-bis(8-sulfonatodibenzofuran-2-yl)phosphanyldibenzofuran-2-sulfonate Openeye Name: trisodium 8-bis(8-sulfonatodibenzofuran-2-yl)phosphanyldibenzofuran-2-sulfonate CAS Name: trisodium 8-[bis(8-sulfonato-2-dibenzofuranyl)phosphino]-2-dibenzofuransulfonate IUPAC Name: trisodium 8-bis(8-sulfonatodibenzofuran-2-yl)phosphanyldibenzofuran-2-sulfonate Traditional Name: trisodium 8-bis(8-sulfonatodibenzofuran-2-yl)phosphinodibenzofuran-2-sulfonate Formula: C36H18Na3O12PS3 MolecularWeight: 838.658991

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1P(C3=CC4=C(C=C3)OC5=C4C=C(C=C5)S(=O)(=O)[O-])C6=CC7=C(C=C6)OC8=C7C=C(C=C8)S(=O)(=O)[O-])C9=C(O2)C=CC(=C9)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=C1P(C3=CC4=C(C=C3)OC5=C4C=C(C=C5)S(=O)(=O)[O-])C6=CC7=C(C=C6)OC8=C7C=C(C=C8)S(=O)(=O)[O-])C9=C(O2)C=CC(=C9)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C36H21O12PS3.3Na/c37-50(38,39)22-4-10-34-28(16-22)25-13-19(1-7-31(25)46-34)49(20-2-8-32-26(14-20)29-17-23(51(40,41)42)5-11-35(29)47-32)21-3-9-33-27(15-21)30-18-24(52(43,44)45)6-12-36(30)48-33;;;/h1-18H,(H,37,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3