[5-(4-methylphenyl)carbonyloxy-2,3,4-tris(oxidanyl)pentyl] 4-methylbenzoate

Systemtic Name: [5-(4-methylphenyl)carbonyloxy-2,3,4-tris(oxidanyl)pentyl] 4-methylbenzoate Openeye Name: [2,3,4-trihydroxy-5-(4-methylbenzoyl)oxy-pentyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2,3,4-trihydroxy-5-[(4-methylphenyl)-oxomethoxy]pentyl] ester IUPAC Name: [2,3,4-trihydroxy-5-(4-methylbenzoyl)oxypentyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (2,3,4-trihydroxy-5-p-toluoyloxy-pentyl) ester Formula: C21H24O7 MolecularWeight: 388.41106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC(C(C(COC(=O)C2=CC=C(C=C2)C)O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC(C(C(COC(=O)C2=CC=C(C=C2)C)O)O)O

InChI

InChI=1S/C21H24O7/c1-13-3-7-15(8-4-13)20(25)27-11-17(22)19(24)18(23)12-28-21(26)16-9-5-14(2)6-10-16/h3-10,17-19,22-24H,11-12H2,1-2H3