phenyl 3-[(3-tert-butylphenyl)-oxidanyl-methyl]-4,4-dimethyl-nonanoate

Systemtic Name: phenyl 3-[(3-tert-butylphenyl)-oxidanyl-methyl]-4,4-dimethyl-nonanoate Openeye Name: phenyl 3-[(3-tert-butylphenyl)-hydroxy-methyl]-4,4-dimethyl-nonanoate CAS Name: 3-[(3-tert-butylphenyl)-hydroxymethyl]-4,4-dimethylnonanoic acid phenyl ester IUPAC Name: phenyl 3-[(3-tert-butylphenyl)-hydroxymethyl]-4,4-dimethylnonanoate Traditional Name: 3-[(3-tert-butylphenyl)-hydroxy-methyl]-4,4-dimethyl-pelargonic acid phenyl ester Formula: C28H40O3 MolecularWeight: 424.6154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C(CC(=O)OC1=CC=CC=C1)C(C2=CC(=CC=C2)C(C)(C)C)O

Isomeric SMILES

CCCCCC(C)(C)C(CC(=O)OC1=CC=CC=C1)C(C2=CC(=CC=C2)C(C)(C)C)O

InChI

InChI=1S/C28H40O3/c1-7-8-12-18-28(5,6)24(20-25(29)31-23-16-10-9-11-17-23)26(30)21-14-13-15-22(19-21)27(2,3)4/h9-11,13-17,19,24,26,30H,7-8,12,18,20H2,1-6H3