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

Systemtic Name: butyl 2-[4-[4-(oxan-2-yloxy)butyl]phenyl]sulfanyl-3-oxidanylidene-pentanoate Openeye Name: butyl 3-oxo-2-[4-(4-tetrahydropyran-2-yloxybutyl)phenyl]sulfanyl-pentanoate CAS Name: 2-[[4-[4-(2-oxanyloxy)butyl]phenyl]thio]-3-oxopentanoic acid butyl ester IUPAC Name: butyl 2-[4-[4-(oxan-2-yloxy)butyl]phenyl]sulfanyl-3-oxopentanoate Traditional Name: 3-keto-2-[[4-(4-tetrahydropyran-2-yloxybutyl)phenyl]thio]valeric acid butyl ester Formula: C24H36O5S MolecularWeight: 436.60464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C(=O)CC)SC1=CC=C(C=C1)CCCCOC2CCCCO2

Isomeric SMILES

CCCCOC(=O)C(C(=O)CC)SC1=CC=C(C=C1)CCCCOC2CCCCO2

InChI

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