3-(hexoxymethyl)-2-oxidanyl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 3-(hexoxymethyl)-2-oxidanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 3-(hexoxymethyl)-2-hydroxy-cyclohepta-2,4,6-trien-1-one CAS Name: 3-(hexoxymethyl)-2-hydroxy-1-cyclohepta-2,4,6-trienone IUPAC Name: 3-(hexoxymethyl)-2-hydroxycyclohepta-2,4,6-trien-1-one Traditional Name: 3-(hexoxymethyl)-2-hydroxy-cyclohepta-2,4,6-trien-1-one Formula: C14H20O3 MolecularWeight: 236.3068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC1=C(C(=O)C=CC=C1)O

Isomeric SMILES

CCCCCCOCC1=C(C(=O)C=CC=C1)O

InChI

InChI=1S/C14H20O3/c1-2-3-4-7-10-17-11-12-8-5-6-9-13(15)14(12)16/h5-6,8-9H,2-4,7,10-11H2,1H3,(H,15,16)