4-[4-[4-(oxan-2-yloxy)butyl]phenyl]sulfanylbutyl 3-oxidanylidenehexanoate

Systemtic Name: 4-[4-[4-(oxan-2-yloxy)butyl]phenyl]sulfanylbutyl 3-oxidanylidenehexanoate Openeye Name: 4-[4-(4-tetrahydropyran-2-yloxybutyl)phenyl]sulfanylbutyl 3-oxohexanoate CAS Name: 3-oxohexanoic acid 4-[[4-[4-(2-oxanyloxy)butyl]phenyl]thio]butyl ester IUPAC Name: 4-[4-[4-(oxan-2-yloxy)butyl]phenyl]sulfanylbutyl 3-oxohexanoate Traditional Name: 3-ketohexanoic acid 4-[[4-(4-tetrahydropyran-2-yloxybutyl)phenyl]thio]butyl ester Formula: C25H38O5S MolecularWeight: 450.63122

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CC(=O)OCCCCSC1=CC=C(C=C1)CCCCOC2CCCCO2

Isomeric SMILES

CCCC(=O)CC(=O)OCCCCSC1=CC=C(C=C1)CCCCOC2CCCCO2

InChI

InChI=1S/C25H38O5S/c1-2-9-22(26)20-24(27)28-16-7-8-19-31-23-14-12-21(13-15-23)10-3-5-17-29-25-11-4-6-18-30-25/h12-15,25H,2-11,16-20H2,1H3