disodium 6-diphenylphosphanyl-5-(2-diphenylphosphanyl-5-sulfonato-naphthalen-1-yl)naphthalene-1-sulfonate

Systemtic Name: disodium 6-diphenylphosphanyl-5-(2-diphenylphosphanyl-5-sulfonato-naphthalen-1-yl)naphthalene-1-sulfonate Openeye Name: disodium 6-diphenylphosphanyl-5-(2-diphenylphosphanyl-5-sulfonato-1-naphthyl)naphthalene-1-sulfonate CAS Name: disodium 6-diphenylphosphino-5-(2-diphenylphosphino-5-sulfonato-1-naphthalenyl)-1-naphthalenesulfonate IUPAC Name: disodium 6-diphenylphosphanyl-5-(2-diphenylphosphanyl-5-sulfonatonaphthalen-1-yl)naphthalene-1-sulfonate Traditional Name: disodium 6-diphenylphosphino-5-(2-diphenylphosphino-5-sulfonato-1-naphthyl)naphthalene-1-sulfonate Formula: C44H30Na2O6P2S2 MolecularWeight: 826.762462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=C(C=C3)C(=CC=C4)S(=O)(=O)[O-])C5=C(C=CC6=C5C=CC=C6S(=O)(=O)[O-])P(C7=CC=CC=C7)C8=CC=CC=C8.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=C(C=C3)C(=CC=C4)S(=O)(=O)[O-])C5=C(C=CC6=C5C=CC=C6S(=O)(=O)[O-])P(C7=CC=CC=C7)C8=CC=CC=C8.[Na+].[Na+]

InChI

InChI=1S/C44H32O6P2S2.2Na/c45-53(46,47)41-25-13-23-37-35(41)27-29-39(51(31-15-5-1-6-16-31)32-17-7-2-8-18-32)43(37)44-38-24-14-26-42(54(48,49)50)36(38)28-30-40(44)52(33-19-9-3-10-20-33)34-21-11-4-12-22-34;;/h1-30H,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2