2-[(3-diphenylphosphinoselenoylphenyl)carbamoyl]-3,4,6-tris(fluoranyl)-5-sulfanyl-benzoic acid

Systemtic Name: 2-[(3-diphenylphosphinoselenoylphenyl)carbamoyl]-3,4,6-tris(fluoranyl)-5-sulfanyl-benzoic acid Openeye Name: 2-[(3-diphenylphosphinoselenoylphenyl)carbamoyl]-3,4,6-trifluoro-5-sulfanyl-benzoic acid CAS Name: 2-[(3-diphenylphosphinoselenoylanilino)-oxomethyl]-3,4,6-trifluoro-5-mercaptobenzoic acid IUPAC Name: 2-[(3-diphenylphosphinoselenoylphenyl)carbamoyl]-3,4,6-trifluoro-5-sulfanylbenzoic acid Traditional Name: 2-[(3-diphenylselenophosphorylphenyl)carbamoyl]-3,4,6-trifluoro-5-mercapto-benzoic acid Formula: C26H17F3NO3PSSe MolecularWeight: 590.412051

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(=[Se])(C2=CC=CC=C2)C3=CC=CC(=C3)NC(=O)C4=C(C(=C(C(=C4F)F)S)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)P(=[Se])(C2=CC=CC=C2)C3=CC=CC(=C3)NC(=O)C4=C(C(=C(C(=C4F)F)S)F)C(=O)O

InChI

InChI=1S/C26H17F3NO3PSSe/c27-21-19(20(26(32)33)22(28)24(35)23(21)29)25(31)30-15-8-7-13-18(14-15)34(36,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,35H,(H,30,31)(H,32,33)