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

Systemtic Name: 3'-methylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-1-benzofuran]-2'-carboxylic acid Openeye Name: 3'-methylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-benzofuran]-2'-carboxylic acid CAS Name: 3'-methyl-2'-spiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-benzofuran]carboxylic acid IUPAC Name: 3'-methylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-1-benzofuran]-2'-carboxylic acid Traditional Name: 3'-methylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-benzofuran]-2'-carboxylic acid Formula: C12H14O3S2 MolecularWeight: 270.36776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C3(CCC2)SCCS3)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C3(CCC2)SCCS3)C(=O)O

InChI

InChI=1S/C12H14O3S2/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)