2-sulfanylbutan-2-yl 2-[4-[(4-chloranylphenoxy)methyl]phenoxy]propanoate

Systemtic Name: 2-sulfanylbutan-2-yl 2-[4-[(4-chloranylphenoxy)methyl]phenoxy]propanoate Openeye Name: (1-methyl-1-sulfanyl-propyl) 2-[4-[(4-chlorophenoxy)methyl]phenoxy]propanoate CAS Name: 2-[4-[(4-chlorophenoxy)methyl]phenoxy]propanoic acid 2-mercaptobutan-2-yl ester IUPAC Name: 2-sulfanylbutan-2-yl 2-[4-[(4-chlorophenoxy)methyl]phenoxy]propanoate Traditional Name: 2-[4-[(4-chlorophenoxy)methyl]phenoxy]propionic acid (1-mercapto-1-methyl-propyl) ester Formula: C20H23ClO4S MolecularWeight: 394.91222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(OC(=O)C(C)OC1=CC=C(C=C1)COC2=CC=C(C=C2)Cl)S

Isomeric SMILES

CCC(C)(OC(=O)C(C)OC1=CC=C(C=C1)COC2=CC=C(C=C2)Cl)S

InChI

InChI=1S/C20H23ClO4S/c1-4-20(3,26)25-19(22)14(2)24-18-9-5-15(6-10-18)13-23-17-11-7-16(21)8-12-17/h5-12,14,26H,4,13H2,1-3H3