3-[(5-methylidene-3-oxidanylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]benzoic acid

Systemtic Name: 3-[(5-methylidene-3-oxidanylidene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]benzoic acid Openeye Name: 3-[(5-methylene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]benzoic acid CAS Name: 3-[(5-methylene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]benzoic acid IUPAC Name: 3-[(5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]benzoic acid Traditional Name: 3-[(3-keto-5-methylene-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl)methyl]benzoic acid Formula: C16H16O4 MolecularWeight: 272.29584

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Descriptors Computed from Structure

Canonical SMILES:

C=C1CC2COC(=O)C2(C1)CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C=C1CC2COC(=O)C2(C1)CC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H16O4/c1-10-5-13-9-20-15(19)16(13,7-10)8-11-3-2-4-12(6-11)14(17)18/h2-4,6,13H,1,5,7-9H2,(H,17,18)