2-[2-[(2S)-hex-4-yn-2-yl]oxy-2-oxidanylidene-ethyl]-4,6-dimethoxy-benzoic acid

Systemtic Name: 2-[2-[(2S)-hex-4-yn-2-yl]oxy-2-oxidanylidene-ethyl]-4,6-dimethoxy-benzoic acid Openeye Name: 2,4-dimethoxy-6-[2-[(1S)-1-methylpent-3-ynoxy]-2-oxo-ethyl]benzoic acid CAS Name: 2-[2-[(2S)-hex-4-yn-2-yl]oxy-2-oxoethyl]-4,6-dimethoxybenzoic acid IUPAC Name: 2-[2-[(2S)-hex-4-yn-2-yl]oxy-2-oxoethyl]-4,6-dimethoxybenzoic acid Traditional Name: 2-[2-keto-2-[(1S)-1-methylpent-3-ynoxy]ethyl]-4,6-dimethoxy-benzoic acid Formula: C17H20O6 MolecularWeight: 320.3371

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(C)OC(=O)CC1=CC(=CC(=C1C(=O)O)OC)OC

Isomeric SMILES

CC#CC[C@H](C)OC(=O)CC1=CC(=CC(=C1C(=O)O)OC)OC

InChI

InChI=1S/C17H20O6/c1-5-6-7-11(2)23-15(18)9-12-8-13(21-3)10-14(22-4)16(12)17(19)20/h8,10-11H,7,9H2,1-4H3,(H,19,20)/t11-/m0/s1