3-[(3-diphenylphosphinoselenoylphenyl)carbamoyl]-4,6-bis(fluoranyl)-5-sulfanyl-phthalic acid

Systemtic Name: 3-[(3-diphenylphosphinoselenoylphenyl)carbamoyl]-4,6-bis(fluoranyl)-5-sulfanyl-phthalic acid Openeye Name: 3-[(3-diphenylphosphinoselenoylphenyl)carbamoyl]-4,6-difluoro-5-sulfanyl-phthalic acid CAS Name: 3-[(3-diphenylphosphinoselenoylanilino)-oxomethyl]-4,6-difluoro-5-mercaptophthalic acid IUPAC Name: 3-[(3-diphenylphosphinoselenoylphenyl)carbamoyl]-4,6-difluoro-5-sulfanylphthalic acid Traditional Name: 3-[(3-diphenylselenophosphorylphenyl)carbamoyl]-4,6-difluoro-5-mercapto-phthalic acid Formula: C27H18F2NO5PSSe MolecularWeight: 616.431087

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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)S)F)C(=O)O)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)S)F)C(=O)O)C(=O)O

InChI

InChI=1S/C27H18F2NO5PSSe/c28-22-20(19(26(32)33)21(27(34)35)23(29)24(22)37)25(31)30-15-8-7-13-18(14-15)36(38,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,37H,(H,30,31)(H,32,33)(H,34,35)