2-[3-(dioxidanyl)-3-oxidanylidene-prop-1-en-2-yl]-4-methyl-pentanoic acid

Systemtic Name: 2-[3-(dioxidanyl)-3-oxidanylidene-prop-1-en-2-yl]-4-methyl-pentanoic acid Openeye Name: 2-(1-carbonoperoxoylvinyl)-4-methyl-pentanoic acid CAS Name: 2-(3-hydroperoxy-3-oxoprop-1-en-2-yl)-4-methylpentanoic acid IUPAC Name: 2-(3-hydroperoxy-3-oxoprop-1-en-2-yl)-4-methylpentanoic acid Traditional Name: 3-carbonoperoxoyl-2-isobutyl-but-3-enoic acid Formula: C9H14O5 MolecularWeight: 202.20446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=C)C(=O)OO)C(=O)O

Isomeric SMILES

CC(C)CC(C(=C)C(=O)OO)C(=O)O

InChI

InChI=1S/C9H14O5/c1-5(2)4-7(8(10)11)6(3)9(12)14-13/h5,7,13H,3-4H2,1-2H3,(H,10,11)