propyl 2-[4-[4-(oxan-2-yloxy)butyl]phenyl]sulfanyl-3-oxidanylidene-hexanoate

Systemtic Name: propyl 2-[4-[4-(oxan-2-yloxy)butyl]phenyl]sulfanyl-3-oxidanylidene-hexanoate Openeye Name: propyl 3-oxo-2-[4-(4-tetrahydropyran-2-yloxybutyl)phenyl]sulfanyl-hexanoate CAS Name: 2-[[4-[4-(2-oxanyloxy)butyl]phenyl]thio]-3-oxohexanoic acid propyl ester IUPAC Name: propyl 2-[4-[4-(oxan-2-yloxy)butyl]phenyl]sulfanyl-3-oxohexanoate Traditional Name: 3-keto-2-[[4-(4-tetrahydropyran-2-yloxybutyl)phenyl]thio]hexanoic acid propyl ester Formula: C24H36O5S MolecularWeight: 436.60464

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C(=O)OCCC)SC1=CC=C(C=C1)CCCCOC2CCCCO2

Isomeric SMILES

CCCC(=O)C(C(=O)OCCC)SC1=CC=C(C=C1)CCCCOC2CCCCO2

InChI

InChI=1S/C24H36O5S/c1-3-9-21(25)23(24(26)29-16-4-2)30-20-14-12-19(13-15-20)10-5-7-17-27-22-11-6-8-18-28-22/h12-15,22-23H,3-11,16-18H2,1-2H3