sodium 3'-methylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-1-benzofuran]-2'-carboxylate

Systemtic Name: sodium 3'-methylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-1-benzofuran]-2'-carboxylate Openeye Name: sodium 3'-methylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-benzofuran]-2'-carboxylate CAS Name: sodium 3'-methyl-2'-spiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-benzofuran]carboxylate IUPAC Name: sodium 3'-methylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-1-benzofuran]-2'-carboxylate Traditional Name: sodium 3'-methylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-benzofuran]-2'-carboxylate Formula: C12H13NaO3S2 MolecularWeight: 292.34959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C3(CCC2)SCCS3)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(OC2=C1C3(CCC2)SCCS3)C(=O)[O-].[Na+]

InChI

InChI=1S/C12H14O3S2.Na/c1-7-9-8(15-10(7)11(13)14)3-2-4-12(9)16-5-6-17-12;/h2-6H2,1H3,(H,13,14);/q;+1/p-1