6,6-bis(diphenylphosphanyl)-5-(5-sulfonaphthalen-1-yl)-5H-naphthalene-1-sulfonic acid

Systemtic Name: 6,6-bis(diphenylphosphanyl)-5-(5-sulfonaphthalen-1-yl)-5H-naphthalene-1-sulfonic acid Openeye Name: 6,6-bis(diphenylphosphanyl)-5-(5-sulfo-1-naphthyl)-5H-naphthalene-1-sulfonic acid CAS Name: 6,6-bis(diphenylphosphino)-5-(5-sulfo-1-naphthalenyl)-5H-naphthalene-1-sulfonic acid IUPAC Name: 6,6-bis(diphenylphosphanyl)-5-(5-sulfonaphthalen-1-yl)-5H-naphthalene-1-sulfonic acid Traditional Name: 6,6-bis(diphenylphosphino)-5-(5-sulfo-1-naphthyl)-5H-naphthalene-1-sulfonic acid Formula: C44H34O6P2S2 MolecularWeight: 784.814682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3(C=CC4=C(C3C5=CC=CC6=C5C=CC=C6S(=O)(=O)O)C=CC=C4S(=O)(=O)O)P(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3(C=CC4=C(C3C5=CC=CC6=C5C=CC=C6S(=O)(=O)O)C=CC=C4S(=O)(=O)O)P(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C44H34O6P2S2/c45-53(46,47)41-28-14-24-36-37(41)25-13-26-39(36)43-40-27-15-29-42(54(48,49)50)38(40)30-31-44(43,51(32-16-5-1-6-17-32)33-18-7-2-8-19-33)52(34-20-9-3-10-21-34)35-22-11-4-12-23-35/h1-31,43H,(H,45,46,47)(H,48,49,50)