(diphenylmethyl) 2-(hydroxymethyl)-3-methanoyl-5-methyl-2-oxidanyl-hexanoate

Systemtic Name: (diphenylmethyl) 2-(hydroxymethyl)-3-methanoyl-5-methyl-2-oxidanyl-hexanoate Openeye Name: benzhydryl 3-formyl-2-hydroxy-2-(hydroxymethyl)-5-methyl-hexanoate CAS Name: 3-formyl-2-hydroxy-2-(hydroxymethyl)-5-methylhexanoic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-formyl-2-hydroxy-2-(hydroxymethyl)-5-methylhexanoate Traditional Name: 3-formyl-2-hydroxy-5-methyl-2-methylol-hexanoic acid benzhydryl ester Formula: C22H26O5 MolecularWeight: 370.43884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C=O)C(CO)(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)O

Isomeric SMILES

CC(C)CC(C=O)C(CO)(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)O

InChI

InChI=1S/C22H26O5/c1-16(2)13-19(14-23)22(26,15-24)21(25)27-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,14,16,19-20,24,26H,13,15H2,1-2H3