1-butyl-4,6,6-tris(oxidanyl)cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 1-butyl-4,6,6-tris(oxidanyl)cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 1-butyl-4,6,6-trihydroxy-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 1-butyl-4,6,6-trihydroxy-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 1-butyl-4,6,6-trihydroxycyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 1-butyl-4,6,6-trihydroxy-cyclohexa-2,4-diene-1-carboxylic acid Formula: C11H16O5 MolecularWeight: 228.24174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C=CC(=CC1(O)O)O)C(=O)O

Isomeric SMILES

CCCCC1(C=CC(=CC1(O)O)O)C(=O)O

InChI

InChI=1S/C11H16O5/c1-2-3-5-10(9(13)14)6-4-8(12)7-11(10,15)16/h4,6-7,12,15-16H,2-3,5H2,1H3,(H,13,14)