2-[2-[4-(4-chloranylphenoxy)phenyl]-6-methyl-1,1-bis(oxidanylidene)thian-2-yl]ethanoic acid

Systemtic Name: 2-[2-[4-(4-chloranylphenoxy)phenyl]-6-methyl-1,1-bis(oxidanylidene)thian-2-yl]ethanoic acid Openeye Name: 2-[2-[4-(4-chlorophenoxy)phenyl]-6-methyl-1,1-dioxo-thian-2-yl]acetic acid CAS Name: 2-[2-[4-(4-chlorophenoxy)phenyl]-6-methyl-1,1-dioxo-2-thianyl]acetic acid IUPAC Name: 2-[2-[4-(4-chlorophenoxy)phenyl]-6-methyl-1,1-dioxothian-2-yl]acetic acid Traditional Name: 2-[2-[4-(4-chlorophenoxy)phenyl]-1,1-diketo-6-methyl-thian-2-yl]acetic acid Formula: C20H21ClO5S MolecularWeight: 408.89574

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(S1(=O)=O)(CC(=O)O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1CCCC(S1(=O)=O)(CC(=O)O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClO5S/c1-14-3-2-12-20(13-19(22)23,27(14,24)25)15-4-8-17(9-5-15)26-18-10-6-16(21)7-11-18/h4-11,14H,2-3,12-13H2,1H3,(H,22,23)