6-octan-3-yl-6-oxidanyl-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: 6-octan-3-yl-6-oxidanyl-cyclohexa-2,4-diene-1-carboxylate Openeye Name: 6-(1-ethylhexyl)-6-hydroxy-cyclohexa-2,4-diene-1-carboxylate CAS Name: 6-hydroxy-6-octan-3-yl-1-cyclohexa-2,4-dienecarboxylate IUPAC Name: 6-hydroxy-6-octan-3-ylcyclohexa-2,4-diene-1-carboxylate Traditional Name: 6-(1-ethylhexyl)-6-hydroxy-cyclohexa-2,4-diene-1-carboxylate Formula: C15H23O3- MolecularWeight: 251.34132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1(C=CC=CC1C(=O)[O-])O

Isomeric SMILES

CCCCCC(CC)C1(C=CC=CC1C(=O)[O-])O

InChI

InChI=1S/C15H24O3/c1-3-5-6-9-12(4-2)15(18)11-8-7-10-13(15)14(16)17/h7-8,10-13,18H,3-6,9H2,1-2H3,(H,16,17)/p-1