[1,7-bis(oxidanyl)-6-(2-oxidanylpropoxy)-1-(phenylcarbonyloxy)heptyl] benzoate

Systemtic Name: [1,7-bis(oxidanyl)-6-(2-oxidanylpropoxy)-1-(phenylcarbonyloxy)heptyl] benzoate Openeye Name: [1-benzoyloxy-1,7-dihydroxy-6-(2-hydroxypropoxy)heptyl] benzoate CAS Name: benzoic acid [1-benzoyloxy-1,7-dihydroxy-6-(2-hydroxypropoxy)heptyl] ester IUPAC Name: [1-benzoyloxy-1,7-dihydroxy-6-(2-hydroxypropoxy)heptyl] benzoate Traditional Name: benzoic acid [1-benzoyloxy-1,7-dihydroxy-6-(2-hydroxypropoxy)heptyl] ester Formula: C24H30O8 MolecularWeight: 446.4902

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(CCCCC(O)(OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2)CO)O

Isomeric SMILES

CC(COC(CCCCC(O)(OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2)CO)O

InChI

InChI=1S/C24H30O8/c1-18(26)17-30-21(16-25)14-8-9-15-24(29,31-22(27)19-10-4-2-5-11-19)32-23(28)20-12-6-3-7-13-20/h2-7,10-13,18,21,25-26,29H,8-9,14-17H2,1H3