2-oxidanyl-5-[2-[4-(4-phenylsulfanylbutoxy)phenyl]propan-2-yl]benzoic acid

Systemtic Name: 2-oxidanyl-5-[2-[4-(4-phenylsulfanylbutoxy)phenyl]propan-2-yl]benzoic acid Openeye Name: 2-hydroxy-5-[1-methyl-1-[4-(4-phenylsulfanylbutoxy)phenyl]ethyl]benzoic acid CAS Name: 2-hydroxy-5-[2-[4-[4-(phenylthio)butoxy]phenyl]propan-2-yl]benzoic acid IUPAC Name: 2-hydroxy-5-[2-[4-(4-phenylsulfanylbutoxy)phenyl]propan-2-yl]benzoic acid Traditional Name: 2-hydroxy-5-[1-methyl-1-[4-[4-(phenylthio)butoxy]phenyl]ethyl]benzoic acid Formula: C26H28O4S MolecularWeight: 436.56312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)OCCCCSC2=CC=CC=C2)C3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)OCCCCSC2=CC=CC=C2)C3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C26H28O4S/c1-26(2,20-12-15-24(27)23(18-20)25(28)29)19-10-13-21(14-11-19)30-16-6-7-17-31-22-8-4-3-5-9-22/h3-5,8-15,18,27H,6-7,16-17H2,1-2H3,(H,28,29)