4-[4-[1-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-2-oxidanyl-cyclohexyl]sulfanylphenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[1-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-2-oxidanyl-cyclohexyl]sulfanylphenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[1-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-2-hydroxy-cyclohexyl]sulfanylphenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[[1-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-2-hydroxycyclohexyl]thio]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[1-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-2-hydroxycyclohexyl]sulfanylphenyl]-4-oxobutanoic acid Traditional Name: 4-[4-[[1-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-2-hydroxy-cyclohexyl]thio]phenyl]-4-keto-butyric acid Formula: C28H34O7S MolecularWeight: 514.63036

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2(CCCCC2O)SC3=CC=C(C=C3)C(=O)CCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2(CCCCC2O)SC3=CC=C(C=C3)C(=O)CCC(=O)O

InChI

InChI=1S/C28H34O7S/c1-3-6-22-24(14-12-21(18(2)29)27(22)34)35-17-28(16-5-4-7-25(28)31)36-20-10-8-19(9-11-20)23(30)13-15-26(32)33/h8-12,14,25,31,34H,3-7,13,15-17H2,1-2H3,(H,32,33)