[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] 5-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylpentanoate

Systemtic Name: [2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] 5-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylpentanoate Openeye Name: [3-hydroxy-2-(hydroxymethyl)-2-methyl-propyl] 5-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylpentanoate CAS Name: 5-(4-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)pentanoic acid [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] ester IUPAC Name: [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 5-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylpentanoate Traditional Name: 5-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylvaleric acid (3-hydroxy-2-methyl-2-methylol-propyl) ester Formula: C22H32O6 MolecularWeight: 392.48588

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)COC(=O)CCCCC1=C2C(=CC=C1)OC3(O2)CCCCC3

Isomeric SMILES

CC(CO)(CO)COC(=O)CCCCC1=C2C(=CC=C1)OC3(O2)CCCCC3

InChI

InChI=1S/C22H32O6/c1-21(14-23,15-24)16-26-19(25)11-4-3-8-17-9-7-10-18-20(17)28-22(27-18)12-5-2-6-13-22/h7,9-10,23-24H,2-6,8,11-16H2,1H3