6-pentyl-6-propoxycarbonyl-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 6-pentyl-6-propoxycarbonyl-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-pentyl-6-propoxycarbonyl-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 6-[oxo(propoxy)methyl]-6-pentyl-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-pentyl-6-propoxycarbonylcyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 6-amyl-6-propoxycarbonyl-cyclohexa-2,4-diene-1-carboxylic acid Formula: C16H24O4 MolecularWeight: 280.35936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C=CC=CC1C(=O)O)C(=O)OCCC

Isomeric SMILES

CCCCCC1(C=CC=CC1C(=O)O)C(=O)OCCC

InChI

InChI=1S/C16H24O4/c1-3-5-7-10-16(15(19)20-12-4-2)11-8-6-9-13(16)14(17)18/h6,8-9,11,13H,3-5,7,10,12H2,1-2H3,(H,17,18)