tetrakis(phenylmethyl) 3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1,2,4,5-tetrasulfonate

Systemtic Name: tetrakis(phenylmethyl) 3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1,2,4,5-tetrasulfonate Openeye Name: tetrabenzyl 3,6-dioxocyclohexa-1,4-diene-1,2,4,5-tetrasulfonate CAS Name: 3,6-dioxocyclohexa-1,4-diene-1,2,4,5-tetrasulfonic acid tetrakis(phenylmethyl) ester IUPAC Name: tetrabenzyl 3,6-dioxocyclohexa-1,4-diene-1,2,4,5-tetrasulfonate Traditional Name: 3,6-diketocyclohexa-1,4-diene-1,2,4,5-tetrasulfonic acid tetrabenzyl ester Formula: C34H28O14S4 MolecularWeight: 788.83772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COS(=O)(=O)C2=C(C(=O)C(=C(C2=O)S(=O)(=O)OCC3=CC=CC=C3)S(=O)(=O)OCC4=CC=CC=C4)S(=O)(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COS(=O)(=O)C2=C(C(=O)C(=C(C2=O)S(=O)(=O)OCC3=CC=CC=C3)S(=O)(=O)OCC4=CC=CC=C4)S(=O)(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C34H28O14S4/c35-29-31(49(37,38)45-21-25-13-5-1-6-14-25)32(50(39,40)46-22-26-15-7-2-8-16-26)30(36)34(52(43,44)48-24-28-19-11-4-12-20-28)33(29)51(41,42)47-23-27-17-9-3-10-18-27/h1-20H,21-24H2