[2,5-bis(carboxyoxymethyl)-2-(3,4-dimethylphenyl)carbonylperoxy-cyclohexyl] 3,4-dimethylbenzenecarboperoxoate

Systemtic Name: [2,5-bis(carboxyoxymethyl)-2-(3,4-dimethylphenyl)carbonylperoxy-cyclohexyl] 3,4-dimethylbenzenecarboperoxoate Openeye Name: [2,5-bis(carboxyoxymethyl)-2-(3,4-dimethylbenzoyl)peroxy-cyclohexyl] 3,4-dimethylbenzenecarboperoxoate CAS Name: 3,4-dimethylbenzenecarboperoxoic acid [2,5-bis(carboxyoxymethyl)-2-[(3,4-dimethylphenyl)-oxomethyl]dioxycyclohexyl] ester IUPAC Name: [2,5-bis(carboxyoxymethyl)-2-(3,4-dimethylbenzoyl)peroxycyclohexyl] 3,4-dimethylbenzenecarboperoxoate Traditional Name: 3,4-dimethylbenzenecarboperoxoic acid [2,5-bis(carboxyoxymethyl)-2-(3,4-dimethylbenzoyl)peroxy-cyclohexyl] ester Formula: C28H32O12 MolecularWeight: 560.54648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OOC2CC(CCC2(COC(=O)O)OOC(=O)C3=CC(=C(C=C3)C)C)COC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OOC2CC(CCC2(COC(=O)O)OOC(=O)C3=CC(=C(C=C3)C)C)COC(=O)O)C

InChI

InChI=1S/C28H32O12/c1-16-5-7-21(11-18(16)3)24(29)38-37-23-13-20(14-35-26(31)32)9-10-28(23,15-36-27(33)34)40-39-25(30)22-8-6-17(2)19(4)12-22/h5-8,11-12,20,23H,9-10,13-15H2,1-4H3,(H,31,32)(H,33,34)