3-oxidanylidene-4-prop-2-enyl-cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: 3-oxidanylidene-4-prop-2-enyl-cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: 4-allyl-3-oxo-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: 3-oxo-4-prop-2-enyl-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: 3-oxo-4-prop-2-enylcyclohexa-1,5-diene-1-carboxylic acid Traditional Name: 4-allyl-3-keto-cyclohexa-1,5-diene-1-carboxylic acid Formula: C10H10O3 MolecularWeight: 178.1846

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1C=CC(=CC1=O)C(=O)O

Isomeric SMILES

C=CCC1C=CC(=CC1=O)C(=O)O

InChI

InChI=1S/C10H10O3/c1-2-3-7-4-5-8(10(12)13)6-9(7)11/h2,4-7H,1,3H2,(H,12,13)