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

Systemtic Name: 4-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanylbutyl 3-oxidanylidenepentanoate Openeye Name: 4-[4-(3-tetrahydropyran-2-yloxypropyl)phenyl]sulfanylbutyl 3-oxopentanoate CAS Name: 3-oxopentanoic acid 4-[[4-[3-(2-oxanyloxy)propyl]phenyl]thio]butyl ester IUPAC Name: 4-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanylbutyl 3-oxopentanoate Traditional Name: 3-ketovaleric acid 4-[[4-(3-tetrahydropyran-2-yloxypropyl)phenyl]thio]butyl ester Formula: C23H34O5S MolecularWeight: 422.57806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34O5S/c1-2-20(24)18-22(25)26-14-5-6-17-29-21-12-10-19(11-13-21)8-7-16-28-23-9-3-4-15-27-23/h10-13,23H,2-9,14-18H2,1H3