3-methyl-4-oxidanyl-4-[4-[3-[4-(1-oxidanyl-4-oxidanylidene-pentan-2-yl)phenoxy]propylsulfanyl]-3-propyl-phenyl]butanoic acid

Systemtic Name: 3-methyl-4-oxidanyl-4-[4-[3-[4-(1-oxidanyl-4-oxidanylidene-pentan-2-yl)phenoxy]propylsulfanyl]-3-propyl-phenyl]butanoic acid Openeye Name: 4-hydroxy-4-[4-[3-[4-[1-(hydroxymethyl)-3-oxo-butyl]phenoxy]propylsulfanyl]-3-propyl-phenyl]-3-methyl-butanoic acid CAS Name: 4-hydroxy-4-[4-[3-[4-(1-hydroxy-4-oxopentan-2-yl)phenoxy]propylthio]-3-propylphenyl]-3-methylbutanoic acid IUPAC Name: 4-hydroxy-4-[4-[3-[4-(1-hydroxy-4-oxopentan-2-yl)phenoxy]propylsulfanyl]-3-propylphenyl]-3-methylbutanoic acid Traditional Name: 4-hydroxy-4-[4-[3-[4-(3-keto-1-methylol-butyl)phenoxy]propylthio]-3-propyl-phenyl]-3-methyl-butyric acid Formula: C28H38O6S MolecularWeight: 502.66272

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(C(C)CC(=O)O)O)SCCCOC2=CC=C(C=C2)C(CC(=O)C)CO

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(C(C)CC(=O)O)O)SCCCOC2=CC=C(C=C2)C(CC(=O)C)CO

InChI

InChI=1S/C28H38O6S/c1-4-6-22-17-23(28(33)19(2)15-27(31)32)9-12-26(22)35-14-5-13-34-25-10-7-21(8-11-25)24(18-29)16-20(3)30/h7-12,17,19,24,28-29,33H,4-6,13-16,18H2,1-3H3,(H,31,32)