3-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanylpropyl 3-oxidanylidenehexanoate

Systemtic Name: 3-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanylpropyl 3-oxidanylidenehexanoate Openeye Name: 3-[4-(3-tetrahydropyran-2-yloxypropyl)phenyl]sulfanylpropyl 3-oxohexanoate CAS Name: 3-oxohexanoic acid 3-[[4-[3-(2-oxanyloxy)propyl]phenyl]thio]propyl ester IUPAC Name: 3-[4-[3-(oxan-2-yloxy)propyl]phenyl]sulfanylpropyl 3-oxohexanoate Traditional Name: 3-ketohexanoic acid 3-[[4-(3-tetrahydropyran-2-yloxypropyl)phenyl]thio]propyl ester Formula: C23H34O5S MolecularWeight: 422.57806

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CC(=O)OCCCSC1=CC=C(C=C1)CCCOC2CCCCO2

Isomeric SMILES

CCCC(=O)CC(=O)OCCCSC1=CC=C(C=C1)CCCOC2CCCCO2

InChI

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