2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylsulfanyl]benzoic acid

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylsulfanyl]benzoic acid Openeye Name: 2-[3-(1,3-dioxoisoindolin-2-yl)propylsulfanyl]benzoic acid CAS Name: 2-[3-(1,3-dioxo-2-isoindolyl)propylthio]benzoic acid IUPAC Name: 2-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]benzoic acid Traditional Name: 2-(3-phthalimidopropylthio)benzoic acid Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H15NO4S/c20-16-12-6-1-2-7-13(12)17(21)19(16)10-5-11-24-15-9-4-3-8-14(15)18(22)23/h1-4,6-9H,5,10-11H2,(H,22,23)