4-(3-methylpentoxycarbonyl)thiolane-3-carboxylic acid

Systemtic Name: 4-(3-methylpentoxycarbonyl)thiolane-3-carboxylic acid Openeye Name: 4-(3-methylpentoxycarbonyl)tetrahydrothiophene-3-carboxylic acid CAS Name: 4-[3-methylpentoxy(oxo)methyl]-3-thiolanecarboxylic acid IUPAC Name: 4-(3-methylpentoxycarbonyl)thiolane-3-carboxylic acid Traditional Name: 4-(3-methylpentoxycarbonyl)tetrahydrothiophene-3-carboxylic acid Formula: C12H20O4S MolecularWeight: 260.3498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCOC(=O)C1CSCC1C(=O)O

Isomeric SMILES

CCC(C)CCOC(=O)C1CSCC1C(=O)O

InChI

InChI=1S/C12H20O4S/c1-3-8(2)4-5-16-12(15)10-7-17-6-9(10)11(13)14/h8-10H,3-7H2,1-2H3,(H,13,14)