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

Systemtic Name: 4-[3-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanylbutyl 3-oxidanylidenehexanoate Openeye Name: 4-[3-(2-tetrahydropyran-2-yloxyethyl)phenyl]sulfanylbutyl 3-oxohexanoate CAS Name: 3-oxohexanoic acid 4-[[3-[2-(2-oxanyloxy)ethyl]phenyl]thio]butyl ester IUPAC Name: 4-[3-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanylbutyl 3-oxohexanoate Traditional Name: 3-ketohexanoic acid 4-[[3-(2-tetrahydropyran-2-yloxyethyl)phenyl]thio]butyl ester Formula: C23H34O5S MolecularWeight: 422.57806

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CC(=O)OCCCCSC1=CC=CC(=C1)CCOC2CCCCO2

Isomeric SMILES

CCCC(=O)CC(=O)OCCCCSC1=CC=CC(=C1)CCOC2CCCCO2

InChI

InChI=1S/C23H34O5S/c1-2-8-20(24)18-22(25)26-13-5-6-16-29-21-10-7-9-19(17-21)12-15-28-23-11-3-4-14-27-23/h7,9-10,17,23H,2-6,8,11-16,18H2,1H3