4,5-bis(diphenylphosphanyl)-9,9-dimethyl-xanthene-1,8-disulfonic acid

Systemtic Name: 4,5-bis(diphenylphosphanyl)-9,9-dimethyl-xanthene-1,8-disulfonic acid Openeye Name: 4,5-bis(diphenylphosphanyl)-9,9-dimethyl-xanthene-1,8-disulfonic acid CAS Name: 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene-1,8-disulfonic acid IUPAC Name: 4,5-bis(diphenylphosphanyl)-9,9-dimethylxanthene-1,8-disulfonic acid Traditional Name: 4,5-bis(diphenylphosphino)-9,9-dimethyl-xanthene-1,8-disulfonic acid Formula: C39H32O7P2S2 MolecularWeight: 738.744702

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2OC3=C(C=CC(=C31)S(=O)(=O)O)P(C4=CC=CC=C4)C5=CC=CC=C5)P(C6=CC=CC=C6)C7=CC=CC=C7)S(=O)(=O)O)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2OC3=C(C=CC(=C31)S(=O)(=O)O)P(C4=CC=CC=C4)C5=CC=CC=C5)P(C6=CC=CC=C6)C7=CC=CC=C7)S(=O)(=O)O)C

InChI

InChI=1S/C39H32O7P2S2/c1-39(2)35-33(49(40,41)42)25-23-31(47(27-15-7-3-8-16-27)28-17-9-4-10-18-28)37(35)46-38-32(24-26-34(36(38)39)50(43,44)45)48(29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-26H,1-2H3,(H,40,41,42)(H,43,44,45)