benzoic acid; 3-hex-3-ynylbenzoic acid; hydrogen peroxide

Systemtic Name: benzoic acid; 3-hex-3-ynylbenzoic acid; hydrogen peroxide Openeye Name: benzoic acid; 3-hex-3-ynylbenzoic acid; hydrogen peroxide CAS Name: benzoic acid; 3-hex-3-ynylbenzoic acid; hydrogen peroxide IUPAC Name: benzoic acid; 3-hex-3-ynylbenzoic acid; hydrogen peroxide Traditional Name: benzoic acid; 3-hex-3-ynylbenzoic acid; hydrogen peroxide Formula: C20H24O8 MolecularWeight: 392.39976

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCCC1=CC=CC(=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.OO.OO

Isomeric SMILES

CCC#CCCC1=CC=CC(=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.OO.OO

InChI

InChI=1S/C13H14O2.C7H6O2.2H2O2/c1-2-3-4-5-7-11-8-6-9-12(10-11)13(14)15;8-7(9)6-4-2-1-3-5-6;2*1-2/h6,8-10H,2,5,7H2,1H3,(H,14,15);1-5H,(H,8,9);2*1-2H