4,4-dimethyl-3-oxidanylidene-5-phenylmethoxy-hept-6-ynoic acid

Systemtic Name: 4,4-dimethyl-3-oxidanylidene-5-phenylmethoxy-hept-6-ynoic acid Openeye Name: 5-benzyloxy-4,4-dimethyl-3-oxo-hept-6-ynoic acid CAS Name: 4,4-dimethyl-3-oxo-5-phenylmethoxy-6-heptynoic acid IUPAC Name: 4,4-dimethyl-3-oxo-5-phenylmethoxyhept-6-ynoic acid Traditional Name: 5-benzoxy-3-keto-4,4-dimethyl-hept-6-ynoic acid Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C#C)OCC1=CC=CC=C1)C(=O)CC(=O)O

Isomeric SMILES

CC(C)(C(C#C)OCC1=CC=CC=C1)C(=O)CC(=O)O

InChI

InChI=1S/C16H18O4/c1-4-14(16(2,3)13(17)10-15(18)19)20-11-12-8-6-5-7-9-12/h1,5-9,14H,10-11H2,2-3H3,(H,18,19)