4-[1,3-bis(oxidanylidene)isoindol-2-yl]butoxymethanedithioic acid

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butoxymethanedithioic acid Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butoxymethanedithioic acid CAS Name: 4-(1,3-dioxo-2-isoindolyl)butoxymethanedithioic acid IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butoxymethanedithioic acid Traditional Name: 4-phthalimidobutoxymethanedithioic acid Formula: C13H13NO3S2 MolecularWeight: 295.37722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO3S2/c15-11-9-5-1-2-6-10(9)12(16)14(11)7-3-4-8-17-13(18)19/h1-2,5-6H,3-4,7-8H2,(H,18,19)