7-[4-[(E)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]thiolan-3-yl]heptanoic acid

Systemtic Name: 7-[4-[(E)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]thiolan-3-yl]heptanoic acid Openeye Name: 7-[4-[(E)-3-hydroxy-4,4-dimethyl-oct-1-enyl]tetrahydrothiophen-3-yl]heptanoic acid CAS Name: 7-[4-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]-3-thiolanyl]heptanoic acid IUPAC Name: 7-[4-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]thiolan-3-yl]heptanoic acid Traditional Name: 7-[4-[(E)-3-hydroxy-4,4-dimethyl-oct-1-enyl]tetrahydrothiophen-3-yl]enanthic acid Formula: C21H38O3S MolecularWeight: 370.58962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(C=CC1CSCC1CCCCCCC(=O)O)O

Isomeric SMILES

CCCCC(C)(C)C(/C=C/C1CSCC1CCCCCCC(=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/h12-13,17-19,22H,4-11,14-16H2,1-3H3,(H,23,24)/b13-12+