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

Systemtic Name: 4-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanylbutyl 3-oxidanylidenehexanoate Openeye Name: 4-[4-(3-tetrahydropyran-2-yloxypropyl)phenyl]sulfanylbutyl 3-oxohexanoate CAS Name: 3-oxohexanoic acid 4-[[4-[3-(2-oxanyloxy)propyl]phenyl]thio]butyl ester IUPAC Name: 4-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanylbutyl 3-oxohexanoate Traditional Name: 3-ketohexanoic acid 4-[[4-(3-tetrahydropyran-2-yloxypropyl)phenyl]thio]butyl ester Formula: C24H36O5S MolecularWeight: 436.60464

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CC(=O)OCCCCSC1=CC=C(C=C1)CCCOC2CCCCO2

Isomeric SMILES

CCCC(=O)CC(=O)OCCCCSC1=CC=C(C=C1)CCCOC2CCCCO2

InChI

InChI=1S/C24H36O5S/c1-2-8-21(25)19-23(26)27-15-5-6-18-30-22-13-11-20(12-14-22)9-7-17-29-24-10-3-4-16-28-24/h11-14,24H,2-10,15-19H2,1H3