2-methyl-5-phenethylsulfanyl-3-phenoxy-4-(2H-pyran-6-yl)benzoic acid

Systemtic Name: 2-methyl-5-phenethylsulfanyl-3-phenoxy-4-(2H-pyran-6-yl)benzoic acid Openeye Name: 2-methyl-5-phenethylsulfanyl-3-phenoxy-4-(2H-pyran-6-yl)benzoic acid CAS Name: 2-methyl-5-(phenethylthio)-3-phenoxy-4-(2H-pyran-6-yl)benzoic acid IUPAC Name: 2-methyl-5-phenethylsulfanyl-3-phenoxy-4-(2H-pyran-6-yl)benzoic acid Traditional Name: 2-methyl-5-(phenethylthio)-3-phenoxy-4-(2H-pyran-6-yl)benzoic acid Formula: C27H24O4S MolecularWeight: 444.54206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)O)SCCC2=CC=CC=C2)C3=CC=CCO3)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)O)SCCC2=CC=CC=C2)C3=CC=CCO3)OC4=CC=CC=C4

InChI

InChI=1S/C27H24O4S/c1-19-22(27(28)29)18-24(32-17-15-20-10-4-2-5-11-20)25(23-14-8-9-16-30-23)26(19)31-21-12-6-3-7-13-21/h2-14,18H,15-17H2,1H3,(H,28,29)