3-(2,5,6-triethanoylcyclohexa-1,5-dien-1-yl)propanoic acid

Systemtic Name: 3-(2,5,6-triethanoylcyclohexa-1,5-dien-1-yl)propanoic acid Openeye Name: 3-(2,5,6-triacetylcyclohexa-1,5-dien-1-yl)propanoic acid CAS Name: 3-(2,5,6-triacetyl-1-cyclohexa-1,5-dienyl)propanoic acid IUPAC Name: 3-(2,5,6-triacetylcyclohexa-1,5-dien-1-yl)propanoic acid Traditional Name: 3-(2,5,6-triacetylcyclohexa-1,5-dien-1-yl)propionic acid Formula: C15H18O5 MolecularWeight: 278.30042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C(CC1)C(=O)C)C(=O)C)CCC(=O)O

Isomeric SMILES

CC(=O)C1=C(C(=C(CC1)C(=O)C)C(=O)C)CCC(=O)O

InChI

InChI=1S/C15H18O5/c1-8(16)11-4-5-12(9(2)17)15(10(3)18)13(11)6-7-14(19)20/h4-7H2,1-3H3,(H,19,20)