2-(2,2-dimethyl-4-methylidene-5-oxidanylidene-1,3,6,6a-tetrahydropentalen-3a-yl)ethanoic acid

Systemtic Name: 2-(2,2-dimethyl-4-methylidene-5-oxidanylidene-1,3,6,6a-tetrahydropentalen-3a-yl)ethanoic acid Openeye Name: 2-(2,2-dimethyl-4-methylene-5-oxo-1,3,6,6a-tetrahydropentalen-3a-yl)acetic acid CAS Name: 2-(2,2-dimethyl-4-methylene-5-oxo-1,3,6,6a-tetrahydropentalen-3a-yl)acetic acid IUPAC Name: 2-(2,2-dimethyl-4-methylidene-5-oxo-1,3,6,6a-tetrahydropentalen-3a-yl)acetic acid Traditional Name: 2-(5-keto-2,2-dimethyl-4-methylene-1,3,6,6a-tetrahydropentalen-3a-yl)acetic acid Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2CC(=O)C(=C)C2(C1)CC(=O)O)C

Isomeric SMILES

CC1(CC2CC(=O)C(=C)C2(C1)CC(=O)O)C

InChI

InChI=1S/C13H18O3/c1-8-10(14)4-9-5-12(2,3)7-13(8,9)6-11(15)16/h9H,1,4-7H2,2-3H3,(H,15,16)