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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CC(=O)OCCSC1=CC=C(C=C1)CCCCOC2CCCCO2

Isomeric SMILES

CCCC(=O)CC(=O)OCCSC1=CC=C(C=C1)CCCCOC2CCCCO2

InChI

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