(2S,3S)-2-heptyl-4-methylidene-5-oxidanylidene-thiolane-3-carboxylic acid

Systemtic Name: (2S,3S)-2-heptyl-4-methylidene-5-oxidanylidene-thiolane-3-carboxylic acid Openeye Name: (2S,3S)-2-heptyl-4-methylene-5-oxo-tetrahydrothiophene-3-carboxylic acid CAS Name: (2S,3S)-2-heptyl-4-methylene-5-oxo-3-thiolanecarboxylic acid IUPAC Name: (2S,3S)-2-heptyl-4-methylidene-5-oxothiolane-3-carboxylic acid Traditional Name: (2S,3S)-2-heptyl-5-keto-4-methylene-tetrahydrothiophene-3-carboxylic acid Formula: C13H20O3S MolecularWeight: 256.3611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(C(=C)C(=O)S1)C(=O)O

Isomeric SMILES

CCCCCCC[C@H]1[C@@H](C(=C)C(=O)S1)C(=O)O

InChI

InChI=1S/C13H20O3S/c1-3-4-5-6-7-8-10-11(12(14)15)9(2)13(16)17-10/h10-11H,2-8H2,1H3,(H,14,15)/t10-,11+/m0/s1