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

Systemtic Name: 3'-methylspiro[1,3-dithiane-2,4'-6,7-dihydro-5H-1-benzofuran]-2'-carboxylic acid Openeye Name: 3'-methylspiro[1,3-dithiane-2,4'-6,7-dihydro-5H-benzofuran]-2'-carboxylic acid CAS Name: 3'-methyl-2'-spiro[1,3-dithiane-2,4'-6,7-dihydro-5H-benzofuran]carboxylic acid IUPAC Name: 3'-methylspiro[1,3-dithiane-2,4'-6,7-dihydro-5H-1-benzofuran]-2'-carboxylic acid Traditional Name: 3'-methylspiro[1,3-dithiane-2,4'-6,7-dihydro-5H-benzofuran]-2'-carboxylic acid Formula: C13H16O3S2 MolecularWeight: 284.39434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C3(CCC2)SCCCS3)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C3(CCC2)SCCCS3)C(=O)O

InChI

InChI=1S/C13H16O3S2/c1-8-10-9(16-11(8)12(14)15)4-2-5-13(10)17-6-3-7-18-13/h2-7H2,1H3,(H,14,15)