(E)-7-(4-methanoylthiolan-3-yl)hept-5-enoic acid

Systemtic Name: (E)-7-(4-methanoylthiolan-3-yl)hept-5-enoic acid Openeye Name: (E)-7-(4-formyltetrahydrothiophen-3-yl)hept-5-enoic acid CAS Name: (E)-7-(4-formyl-3-thiolanyl)-5-heptenoic acid IUPAC Name: (E)-7-(4-formylthiolan-3-yl)hept-5-enoic acid Traditional Name: (E)-7-(4-formyltetrahydrothiophen-3-yl)hept-5-enoic acid Formula: C12H18O3S MolecularWeight: 242.33452

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CS1)C=O)CC=CCCCC(=O)O

Isomeric SMILES

C1C(C(CS1)C=O)C/C=C/CCCC(=O)O

InChI

InChI=1S/C12H18O3S/c13-7-11-9-16-8-10(11)5-3-1-2-4-6-12(14)15/h1,3,7,10-11H,2,4-6,8-9H2,(H,14,15)/b3-1+