bis[(2S)-2-methylpentyl] 5-(oxan-2-yloxymethyl)benzene-1,3-dicarboxylate

Systemtic Name: bis[(2S)-2-methylpentyl] 5-(oxan-2-yloxymethyl)benzene-1,3-dicarboxylate Openeye Name: bis[(2S)-2-methylpentyl] 5-(tetrahydropyran-2-yloxymethyl)benzene-1,3-dicarboxylate CAS Name: 5-(2-oxanyloxymethyl)benzene-1,3-dicarboxylic acid bis[(2S)-2-methylpentyl] ester IUPAC Name: bis[(2S)-2-methylpentyl] 5-(oxan-2-yloxymethyl)benzene-1,3-dicarboxylate Traditional Name: 5-(tetrahydropyran-2-yloxymethyl)benzene-1,3-dicarboxylic acid bis[(2S)-2-methylpentyl] ester Formula: C26H40O6 MolecularWeight: 448.5922

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)COC(=O)C1=CC(=CC(=C1)COC2CCCCO2)C(=O)OCC(C)CCC

Isomeric SMILES

CCC[C@H](C)COC(=O)C1=CC(=CC(=C1)COC2CCCCO2)C(=O)OC[C@@H](C)CCC

InChI

InChI=1S/C26H40O6/c1-5-9-19(3)16-31-25(27)22-13-21(18-30-24-11-7-8-12-29-24)14-23(15-22)26(28)32-17-20(4)10-6-2/h13-15,19-20,24H,5-12,16-18H2,1-4H3/t19-,20-,24?/m0/s1