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

Systemtic Name: butyl 2-[3-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanyl-3-oxidanylidene-hexanoate Openeye Name: butyl 3-oxo-2-[3-(2-tetrahydropyran-2-yloxyethyl)phenyl]sulfanyl-hexanoate CAS Name: 2-[[3-[2-(2-oxanyloxy)ethyl]phenyl]thio]-3-oxohexanoic acid butyl ester IUPAC Name: butyl 2-[3-[2-(oxan-2-yloxy)ethyl]phenyl]sulfanyl-3-oxohexanoate Traditional Name: 3-keto-2-[[3-(2-tetrahydropyran-2-yloxyethyl)phenyl]thio]hexanoic acid butyl ester Formula: C23H34O5S MolecularWeight: 422.57806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C(=O)CCC)SC1=CC=CC(=C1)CCOC2CCCCO2

Isomeric SMILES

CCCCOC(=O)C(C(=O)CCC)SC1=CC=CC(=C1)CCOC2CCCCO2

InChI

InChI=1S/C23H34O5S/c1-3-5-14-28-23(25)22(20(24)9-4-2)29-19-11-8-10-18(17-19)13-16-27-21-12-6-7-15-26-21/h8,10-11,17,21-22H,3-7,9,12-16H2,1-2H3