4-heptoxycarbonylthiolane-3-carboxylic acid

Systemtic Name: 4-heptoxycarbonylthiolane-3-carboxylic acid Openeye Name: 4-heptoxycarbonyltetrahydrothiophene-3-carboxylic acid CAS Name: 4-[heptoxy(oxo)methyl]-3-thiolanecarboxylic acid IUPAC Name: 4-heptoxycarbonylthiolane-3-carboxylic acid Traditional Name: 4-heptoxycarbonyltetrahydrothiophene-3-carboxylic acid Formula: C13H22O4S MolecularWeight: 274.37638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1CSCC1C(=O)O

Isomeric SMILES

CCCCCCCOC(=O)C1CSCC1C(=O)O

InChI

InChI=1S/C13H22O4S/c1-2-3-4-5-6-7-17-13(16)11-9-18-8-10(11)12(14)15/h10-11H,2-9H2,1H3,(H,14,15)