sodium 3-(4-chlorophenyl)-2-[4-(3,4-dihydro-2H-thiochromen-4-yl)phenoxy]-2-methyl-propanoate

Systemtic Name: sodium 3-(4-chlorophenyl)-2-[4-(3,4-dihydro-2H-thiochromen-4-yl)phenoxy]-2-methyl-propanoate Openeye Name: sodium 3-(4-chlorophenyl)-2-methyl-2-(4-thiochroman-4-ylphenoxy)propanoate CAS Name: sodium 3-(4-chlorophenyl)-2-[4-(3,4-dihydro-2H-1-benzothiopyran-4-yl)phenoxy]-2-methylpropanoate IUPAC Name: sodium 3-(4-chlorophenyl)-2-[4-(3,4-dihydro-2H-thiochromen-4-yl)phenoxy]-2-methylpropanoate Traditional Name: sodium 3-(4-chlorophenyl)-2-methyl-2-(4-thiochroman-4-ylphenoxy)propionate Formula: C25H22ClNaO3S MolecularWeight: 460.94815

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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)C3CCSC4=CC=CC=C34.[Na+]

Isomeric SMILES

CC(CC1=CC=C(C=C1)Cl)(C(=O)[O-])OC2=CC=C(C=C2)C3CCSC4=CC=CC=C34.[Na+]

InChI

InChI=1S/C25H23ClO3S.Na/c1-25(24(27)28,16-17-6-10-19(26)11-7-17)29-20-12-8-18(9-13-20)21-14-15-30-23-5-3-2-4-22(21)23;/h2-13,21H,14-16H2,1H3,(H,27,28);/q;+1/p-1