2-[5-[3-bis(oxidanyl)phosphinothioyloxypropylamino]pentyl]isoindole-1,3-dione

Systemtic Name: 2-[5-[3-bis(oxidanyl)phosphinothioyloxypropylamino]pentyl]isoindole-1,3-dione Openeye Name: 2-[5-(3-dihydroxyphosphinothioyloxypropylamino)pentyl]isoindoline-1,3-dione CAS Name: 2-[5-(3-dihydroxyphosphinothioyloxypropylamino)pentyl]isoindole-1,3-dione IUPAC Name: 2-[5-(3-dihydroxyphosphinothioyloxypropylamino)pentyl]isoindole-1,3-dione Traditional Name: 2-[5-(3-dihydroxythiophosphoryloxypropylamino)pentyl]isoindoline-1,3-quinone Formula: C16H23N2O5PS MolecularWeight: 386.402981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCNCCCOP(=S)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCNCCCOP(=S)(O)O

InChI

InChI=1S/C16H23N2O5PS/c19-15-13-7-2-3-8-14(13)16(20)18(15)11-5-1-4-9-17-10-6-12-23-24(21,22)25/h2-3,7-8,17H,1,4-6,9-12H2,(H2,21,22,25)