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

Systemtic Name: 6-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-sulfanyl-hexanoic acid Openeye Name: 6-(1,3-dioxoisoindolin-2-yl)-2-sulfanyl-hexanoic acid CAS Name: 6-(1,3-dioxo-2-isoindolyl)-2-mercaptohexanoic acid IUPAC Name: 6-(1,3-dioxoisoindol-2-yl)-2-sulfanylhexanoic acid Traditional Name: 2-mercapto-6-phthalimido-hexanoic acid Formula: C14H15NO4S MolecularWeight: 293.3382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO4S/c16-12-9-5-1-2-6-10(9)13(17)15(12)8-4-3-7-11(20)14(18)19/h1-2,5-6,11,20H,3-4,7-8H2,(H,18,19)