6-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-oxidanylidene-hexanethioic S-acid

Systemtic Name: 6-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-oxidanylidene-hexanethioic S-acid Openeye Name: 6-(1,3-dioxoisoindolin-2-yl)-3-oxo-hexanethioic S-acid CAS Name: 6-(1,3-dioxo-2-isoindolyl)-3-oxohexanethioic S-acid IUPAC Name: 6-(1,3-dioxoisoindol-2-yl)-3-oxohexanethioic S-acid Traditional Name: 3-keto-6-phthalimido-hexanethioic S-acid Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO4S/c16-9(8-12(17)20)4-3-7-15-13(18)10-5-1-2-6-11(10)14(15)19/h1-2,5-6H,3-4,7-8H2,(H,17,20)