5-butyl-4-[(2-methyl-5-oxidanylidene-cyclohexyl)methyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-butyl-4-[(2-methyl-5-oxidanylidene-cyclohexyl)methyl]-2-oxidanyl-benzoic acid Openeye Name: 5-butyl-2-hydroxy-4-[(2-methyl-5-oxo-cyclohexyl)methyl]benzoic acid CAS Name: 5-butyl-2-hydroxy-4-[(2-methyl-5-oxocyclohexyl)methyl]benzoic acid IUPAC Name: 5-butyl-2-hydroxy-4-[(2-methyl-5-oxocyclohexyl)methyl]benzoic acid Traditional Name: 5-butyl-2-hydroxy-4-[(5-keto-2-methyl-cyclohexyl)methyl]benzoic acid Formula: C19H26O4 MolecularWeight: 318.40734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C(=C1)C(=O)O)O)CC2CC(=O)CCC2C

Isomeric SMILES

CCCCC1=C(C=C(C(=C1)C(=O)O)O)CC2CC(=O)CCC2C

InChI

InChI=1S/C19H26O4/c1-3-4-5-13-10-17(19(22)23)18(21)11-15(13)8-14-9-16(20)7-6-12(14)2/h10-12,14,21H,3-9H2,1-2H3,(H,22,23)