5-octan-4-yl-6-oxidanylidene-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 5-octan-4-yl-6-oxidanylidene-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 6-oxo-5-(1-propylpentyl)cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 5-octan-4-yl-6-oxo-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 5-octan-4-yl-6-oxocyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 6-keto-5-(1-propylpentyl)cyclohexa-1,3-diene-1-carboxylic acid Formula: C15H22O3 MolecularWeight: 250.33338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)C1C=CC=C(C1=O)C(=O)O

Isomeric SMILES

CCCCC(CCC)C1C=CC=C(C1=O)C(=O)O

InChI

InChI=1S/C15H22O3/c1-3-5-8-11(7-4-2)12-9-6-10-13(14(12)16)15(17)18/h6,9-12H,3-5,7-8H2,1-2H3,(H,17,18)