2-[1-(2,5-dicarboxyphenyl)carbonyloxypropylperoxymethyl]terephthalic acid

Systemtic Name: 2-[1-(2,5-dicarboxyphenyl)carbonyloxypropylperoxymethyl]terephthalic acid Openeye Name: 2-[1-(2,5-dicarboxybenzoyl)oxypropylperoxymethyl]terephthalic acid CAS Name: 2-[1-[(2,5-dicarboxyphenyl)-oxomethoxy]propyldioxymethyl]terephthalic acid IUPAC Name: 2-[1-(2,5-dicarboxybenzoyl)oxypropylperoxymethyl]terephthalic acid Traditional Name: 2-[1-(2,5-dicarboxybenzoyl)oxypropylperoxymethyl]terephthalic acid Formula: C21H18O12 MolecularWeight: 462.36042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)O)OOCC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCC(OC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)O)OOCC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C21H18O12/c1-2-16(32-21(30)15-8-11(18(24)25)4-6-14(15)20(28)29)33-31-9-12-7-10(17(22)23)3-5-13(12)19(26)27/h3-8,16H,2,9H2,1H3,(H,22,23)(H,24,25)(H,26,27)(H,28,29)