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

Systemtic Name: 2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]benzoic acid Openeye Name: 2-[(1,3-dioxoisoindolin-2-yl)methylsulfanyl]benzoic acid CAS Name: 2-[(1,3-dioxo-2-isoindolyl)methylthio]benzoic acid IUPAC Name: 2-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]benzoic acid Traditional Name: 2-(phthalimidomethylthio)benzoic acid Formula: C16H11NO4S MolecularWeight: 313.32784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C16H11NO4S/c18-14-10-5-1-2-6-11(10)15(19)17(14)9-22-13-8-4-3-7-12(13)16(20)21/h1-8H,9H2,(H,20,21)