3-[3-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanylpropyl 3-oxidanylidenehexanoate

Systemtic Name: 3-[3-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanylpropyl 3-oxidanylidenehexanoate Openeye Name: 3-[3-(2-tetrahydropyran-2-yloxyethyl)phenyl]sulfanylpropyl 3-oxohexanoate CAS Name: 3-oxohexanoic acid 3-[[3-[2-(2-oxanyloxy)ethyl]phenyl]thio]propyl ester IUPAC Name: 3-[3-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanylpropyl 3-oxohexanoate Traditional Name: 3-ketohexanoic acid 3-[[3-(2-tetrahydropyran-2-yloxyethyl)phenyl]thio]propyl ester Formula: C22H32O5S MolecularWeight: 408.55148

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CC(=O)OCCCSC1=CC=CC(=C1)CCOC2CCCCO2

Isomeric SMILES

CCCC(=O)CC(=O)OCCCSC1=CC=CC(=C1)CCOC2CCCCO2

InChI

InChI=1S/C22H32O5S/c1-2-7-19(23)17-21(24)25-13-6-15-28-20-9-5-8-18(16-20)11-14-27-22-10-3-4-12-26-22/h5,8-9,16,22H,2-4,6-7,10-15,17H2,1H3