5-[(4-methoxycarbonylphenyl)carbonyloxymethylperoxycarbonyl]-2-(methoxymethoxycarbonyl)benzenesulfonic acid

Systemtic Name: 5-[(4-methoxycarbonylphenyl)carbonyloxymethylperoxycarbonyl]-2-(methoxymethoxycarbonyl)benzenesulfonic acid Openeye Name: 5-[(4-methoxycarbonylbenzoyl)oxymethylperoxycarbonyl]-2-(methoxymethoxycarbonyl)benzenesulfonic acid CAS Name: 5-[[(4-methoxycarbonylphenyl)-oxomethoxy]methyldioxy-oxomethyl]-2-[methoxymethoxy(oxo)methyl]benzenesulfonic acid IUPAC Name: 5-[(4-methoxycarbonylbenzoyl)oxymethylperoxycarbonyl]-2-(methoxymethoxycarbonyl)benzenesulfonic acid Traditional Name: 5-[(4-carbomethoxybenzoyl)oxymethylperoxycarbonyl]-2-(methoxymethoxycarbonyl)besylic acid Formula: C20H18O13S MolecularWeight: 498.41412

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Descriptors Computed from Structure

Canonical SMILES:

COCOC(=O)C1=C(C=C(C=C1)C(=O)OOCOC(=O)C2=CC=C(C=C2)C(=O)OC)S(=O)(=O)O

Isomeric SMILES

COCOC(=O)C1=C(C=C(C=C1)C(=O)OOCOC(=O)C2=CC=C(C=C2)C(=O)OC)S(=O)(=O)O

InChI

InChI=1S/C20H18O13S/c1-28-10-30-20(24)15-8-7-14(9-16(15)34(25,26)27)19(23)33-32-11-31-18(22)13-5-3-12(4-6-13)17(21)29-2/h3-9H,10-11H2,1-2H3,(H,25,26,27)