2-[5-(3-methyl-2-phenylsulfanyl-butyl)-6-oxidanyl-4-oxidanylidene-thiopyran-2-yl]-2-phenoxy-ethanoic acid

Systemtic Name: 2-[5-(3-methyl-2-phenylsulfanyl-butyl)-6-oxidanyl-4-oxidanylidene-thiopyran-2-yl]-2-phenoxy-ethanoic acid Openeye Name: 2-[6-hydroxy-5-(3-methyl-2-phenylsulfanyl-butyl)-4-oxo-thiopyran-2-yl]-2-phenoxy-acetic acid CAS Name: 2-[6-hydroxy-5-[3-methyl-2-(phenylthio)butyl]-4-oxo-2-thiopyranyl]-2-phenoxyacetic acid IUPAC Name: 2-[6-hydroxy-5-(3-methyl-2-phenylsulfanylbutyl)-4-oxothiopyran-2-yl]-2-phenoxyacetic acid Traditional Name: 2-[6-hydroxy-4-keto-5-[3-methyl-2-(phenylthio)butyl]thiopyran-2-yl]-2-phenoxy-acetic acid Formula: C24H24O5S2 MolecularWeight: 456.57436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC1=C(SC(=CC1=O)C(C(=O)O)OC2=CC=CC=C2)O)SC3=CC=CC=C3

Isomeric SMILES

CC(C)C(CC1=C(SC(=CC1=O)C(C(=O)O)OC2=CC=CC=C2)O)SC3=CC=CC=C3

InChI

InChI=1S/C24H24O5S2/c1-15(2)20(30-17-11-7-4-8-12-17)13-18-19(25)14-21(31-24(18)28)22(23(26)27)29-16-9-5-3-6-10-16/h3-12,14-15,20,22,28H,13H2,1-2H3,(H,26,27)