[2,5-dimethyl-2,5-bis(oxidanyl)hex-3-ynyl] methanoate benzoate

Systemtic Name: [2,5-dimethyl-2,5-bis(oxidanyl)hex-3-ynyl] methanoate benzoate Openeye Name: (2,5-dihydroxy-2,5-dimethyl-hex-3-ynyl) formate benzoate CAS Name: formic acid (2,5-dihydroxy-2,5-dimethylhex-3-ynyl) ester benzoate IUPAC Name: (2,5-dihydroxy-2,5-dimethylhex-3-ynyl) formate benzoate Traditional Name: formic acid (2,5-dihydroxy-2,5-dimethyl-hex-3-ynyl) ester benzoate Formula: C16H19O6- MolecularWeight: 307.31846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC(C)(COC=O)O)O.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC(C)(C#CC(C)(COC=O)O)O.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C9H14O4.C7H6O2/c1-8(2,11)4-5-9(3,12)6-13-7-10;8-7(9)6-4-2-1-3-5-6/h7,11-12H,6H2,1-3H3;1-5H,(H,8,9)/p-1