5-[5-(3,4-dichlorophenyl)sulfanylpentoxy]-2-(oxan-2-yloxymethyl)pyran-4-one

Systemtic Name: 5-[5-(3,4-dichlorophenyl)sulfanylpentoxy]-2-(oxan-2-yloxymethyl)pyran-4-one Openeye Name: 5-[5-(3,4-dichlorophenyl)sulfanylpentoxy]-2-(tetrahydropyran-2-yloxymethyl)pyran-4-one CAS Name: 5-[5-[(3,4-dichlorophenyl)thio]pentoxy]-2-(2-oxanyloxymethyl)-4-pyranone IUPAC Name: 5-[5-(3,4-dichlorophenyl)sulfanylpentoxy]-2-(oxan-2-yloxymethyl)pyran-4-one Traditional Name: 5-[5-[(3,4-dichlorophenyl)thio]pentoxy]-2-(tetrahydropyran-2-yloxymethyl)pyran-4-one Formula: C22H26Cl2O5S MolecularWeight: 473.40984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC2=CC(=O)C(=CO2)OCCCCCSC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCOC(C1)OCC2=CC(=O)C(=CO2)OCCCCCSC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H26Cl2O5S/c23-18-8-7-17(13-19(18)24)30-11-5-1-3-9-26-21-15-28-16(12-20(21)25)14-29-22-6-2-4-10-27-22/h7-8,12-13,15,22H,1-6,9-11,14H2