sodium 3-(4-chlorophenyl)-2-methyl-2-[4-(thian-4-yl)phenoxy]propanoate

Systemtic Name: sodium 3-(4-chlorophenyl)-2-methyl-2-[4-(thian-4-yl)phenoxy]propanoate Openeye Name: sodium 3-(4-chlorophenyl)-2-methyl-2-(4-tetrahydrothiopyran-4-ylphenoxy)propanoate CAS Name: sodium 3-(4-chlorophenyl)-2-methyl-2-[4-(4-thianyl)phenoxy]propanoate IUPAC Name: sodium 3-(4-chlorophenyl)-2-methyl-2-[4-(thian-4-yl)phenoxy]propanoate Traditional Name: sodium 3-(4-chlorophenyl)-2-methyl-2-(4-tetrahydrothiopyran-4-ylphenoxy)propionate Formula: C21H22ClNaO3S MolecularWeight: 412.90535

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)Cl)(C(=O)[O-])OC2=CC=C(C=C2)C3CCSCC3.[Na+]

Isomeric SMILES

CC(CC1=CC=C(C=C1)Cl)(C(=O)[O-])OC2=CC=C(C=C2)C3CCSCC3.[Na+]

InChI

InChI=1S/C21H23ClO3S.Na/c1-21(20(23)24,14-15-2-6-18(22)7-3-15)25-19-8-4-16(5-9-19)17-10-12-26-13-11-17;/h2-9,17H,10-14H2,1H3,(H,23,24);/q;+1/p-1