4-[4-[4-(oxan-2-yloxy)butyl]phenyl]sulfanylbutyl 3-oxidanylidenebutanoate

Systemtic Name: 4-[4-[4-(oxan-2-yloxy)butyl]phenyl]sulfanylbutyl 3-oxidanylidenebutanoate Openeye Name: 4-[4-(4-tetrahydropyran-2-yloxybutyl)phenyl]sulfanylbutyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 4-[[4-[4-(2-oxanyloxy)butyl]phenyl]thio]butyl ester IUPAC Name: 4-[4-[4-(oxan-2-yloxy)butyl]phenyl]sulfanylbutyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 4-[[4-(4-tetrahydropyran-2-yloxybutyl)phenyl]thio]butyl ester Formula: C23H34O5S MolecularWeight: 422.57806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCCCCSC1=CC=C(C=C1)CCCCOC2CCCCO2

Isomeric SMILES

CC(=O)CC(=O)OCCCCSC1=CC=C(C=C1)CCCCOC2CCCCO2

InChI

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