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

Systemtic Name: butyl 2-[4-[4-(oxan-2-yloxy)butyl]phenyl]sulfanyl-3-oxidanylidene-hexanoate Openeye Name: butyl 3-oxo-2-[4-(4-tetrahydropyran-2-yloxybutyl)phenyl]sulfanyl-hexanoate CAS Name: 2-[[4-[4-(2-oxanyloxy)butyl]phenyl]thio]-3-oxohexanoic acid butyl ester IUPAC Name: butyl 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 butyl ester Formula: C25H38O5S MolecularWeight: 450.63122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38O5S/c1-3-5-17-30-25(27)24(22(26)10-4-2)31-21-15-13-20(14-16-21)11-6-8-18-28-23-12-7-9-19-29-23/h13-16,23-24H,3-12,17-19H2,1-2H3