disodium 4,5-bis(diphenylphosphanyl)-9,9-dimethyl-xanthene-2,7-disulfonate

Systemtic Name: disodium 4,5-bis(diphenylphosphanyl)-9,9-dimethyl-xanthene-2,7-disulfonate Openeye Name: disodium 4,5-bis(diphenylphosphanyl)-9,9-dimethyl-xanthene-2,7-disulfonate CAS Name: disodium 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene-2,7-disulfonate IUPAC Name: disodium 4,5-bis(diphenylphosphanyl)-9,9-dimethylxanthene-2,7-disulfonate Traditional Name: disodium 4,5-bis(diphenylphosphino)-9,9-dimethyl-xanthene-2,7-disulfonate Formula: C39H30Na2O7P2S2 MolecularWeight: 782.708362

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=CC(=C2OC3=C(C=C(C=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.[Na+].[Na+]

Isomeric SMILES

CC1(C2=CC(=CC(=C2OC3=C(C=C(C=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.[Na+].[Na+]

InChI

InChI=1S/C39H32O7P2S2.2Na/c1-39(2)33-23-31(49(40,41)42)25-35(47(27-15-7-3-8-16-27)28-17-9-4-10-18-28)37(33)46-38-34(39)24-32(50(43,44)45)26-36(38)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);;/q;2*+1/p-2