7-[1-(2-oxidanylideneethyl)cyclohexyl]-5,5-bis(phenylmethoxymethyl)heptanoate

Systemtic Name: 7-[1-(2-oxidanylideneethyl)cyclohexyl]-5,5-bis(phenylmethoxymethyl)heptanoate Openeye Name: 5,5-bis(benzyloxymethyl)-7-[1-(2-oxoethyl)cyclohexyl]heptanoate CAS Name: 7-[1-(2-oxoethyl)cyclohexyl]-5,5-bis(phenylmethoxymethyl)heptanoate IUPAC Name: 7-[1-(2-oxoethyl)cyclohexyl]-5,5-bis(phenylmethoxymethyl)heptanoate Traditional Name: 5,5-bis(benzoxymethyl)-7-[1-(2-ketoethyl)cyclohexyl]enanthate Formula: C31H41O5- MolecularWeight: 493.65424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CCC(CCCC(=O)[O-])(COCC2=CC=CC=C2)COCC3=CC=CC=C3)CC=O

Isomeric SMILES

C1CCC(CC1)(CCC(CCCC(=O)[O-])(COCC2=CC=CC=C2)COCC3=CC=CC=C3)CC=O

InChI

InChI=1S/C31H42O5/c32-22-21-30(16-8-3-9-17-30)19-20-31(18-10-15-29(33)34,25-35-23-27-11-4-1-5-12-27)26-36-24-28-13-6-2-7-14-28/h1-2,4-7,11-14,22H,3,8-10,15-21,23-26H2,(H,33,34)/p-1