(E)-7-[4-(4,4-dimethyl-3-oxidanyl-octyl)thiolan-3-yl]hept-5-enoic acid

Systemtic Name: (E)-7-[4-(4,4-dimethyl-3-oxidanyl-octyl)thiolan-3-yl]hept-5-enoic acid Openeye Name: (E)-7-[4-(3-hydroxy-4,4-dimethyl-octyl)tetrahydrothiophen-3-yl]hept-5-enoic acid CAS Name: (E)-7-[4-(3-hydroxy-4,4-dimethyloctyl)-3-thiolanyl]-5-heptenoic acid IUPAC Name: (E)-7-[4-(3-hydroxy-4,4-dimethyloctyl)thiolan-3-yl]hept-5-enoic acid Traditional Name: (E)-7-[4-(3-hydroxy-4,4-dimethyl-octyl)tetrahydrothiophen-3-yl]hept-5-enoic acid Formula: C21H38O3S MolecularWeight: 370.58962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(CCC1CSCC1CC=CCCCC(=O)O)O

Isomeric SMILES

CCCCC(C)(C)C(CCC1CSCC1C/C=C/CCCC(=O)O)O

InChI

InChI=1S/C21H38O3S/c1-4-5-14-21(2,3)19(22)13-12-18-16-25-15-17(18)10-8-6-7-9-11-20(23)24/h6,8,17-19,22H,4-5,7,9-16H2,1-3H3,(H,23,24)/b8-6+