6-[2,3-dihydro-1,4-benzodioxin-6-yl(oxidanyl)methyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[2,3-dihydro-1,4-benzodioxin-6-yl(oxidanyl)methyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]cyclohex-3-ene-1-carboxylic acid Formula: C16H18O5 MolecularWeight: 290.31112

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(C3CC=CCC3C(=O)O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(C3CC=CCC3C(=O)O)O

InChI

InChI=1S/C16H18O5/c17-15(11-3-1-2-4-12(11)16(18)19)10-5-6-13-14(9-10)21-8-7-20-13/h1-2,5-6,9,11-12,15,17H,3-4,7-8H2,(H,18,19)