6-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]hexanoic acid

Systemtic Name: 6-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]hexanoic acid Openeye Name: 6-[(1,3-dioxoisoindolin-2-yl)methylsulfanyl]hexanoic acid CAS Name: 6-[(1,3-dioxo-2-isoindolyl)methylthio]hexanoic acid IUPAC Name: 6-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]hexanoic acid Traditional Name: 6-(phthalimidomethylthio)hexanoic acid Formula: C15H17NO4S MolecularWeight: 307.36478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CSCCCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CSCCCCCC(=O)O

InChI

InChI=1S/C15H17NO4S/c17-13(18)8-2-1-5-9-21-10-16-14(19)11-6-3-4-7-12(11)15(16)20/h3-4,6-7H,1-2,5,8-10H2,(H,17,18)