3-[[2-[4-(2-methyl-3-oxidanyl-heptan-2-yl)phenyl]-5-oxidanylidene-cyclopentyl]methoxymethyl]benzoic acid

Systemtic Name: 3-[[2-[4-(2-methyl-3-oxidanyl-heptan-2-yl)phenyl]-5-oxidanylidene-cyclopentyl]methoxymethyl]benzoic acid Openeye Name: 3-[[2-[4-(2-hydroxy-1,1-dimethyl-hexyl)phenyl]-5-oxo-cyclopentyl]methoxymethyl]benzoic acid CAS Name: 3-[[2-[4-(3-hydroxy-2-methylheptan-2-yl)phenyl]-5-oxocyclopentyl]methoxymethyl]benzoic acid IUPAC Name: 3-[[2-[4-(3-hydroxy-2-methylheptan-2-yl)phenyl]-5-oxocyclopentyl]methoxymethyl]benzoic acid Traditional Name: 3-[[2-[4-(2-hydroxy-1,1-dimethyl-hexyl)phenyl]-5-keto-cyclopentyl]methoxymethyl]benzoic acid Formula: C28H36O5 MolecularWeight: 452.58244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)(C)C1=CC=C(C=C1)C2CCC(=O)C2COCC3=CC=CC(=C3)C(=O)O)O

Isomeric SMILES

CCCCC(C(C)(C)C1=CC=C(C=C1)C2CCC(=O)C2COCC3=CC=CC(=C3)C(=O)O)O

InChI

InChI=1S/C28H36O5/c1-4-5-9-26(30)28(2,3)22-12-10-20(11-13-22)23-14-15-25(29)24(23)18-33-17-19-7-6-8-21(16-19)27(31)32/h6-8,10-13,16,23-24,26,30H,4-5,9,14-15,17-18H2,1-3H3,(H,31,32)