bis(phenylmethyl) (2R,3S)-2-[(4-tert-butylphenyl)methyl]-3-oxidanyl-butanedioate

Systemtic Name: bis(phenylmethyl) (2R,3S)-2-[(4-tert-butylphenyl)methyl]-3-oxidanyl-butanedioate Openeye Name: dibenzyl (2R,3S)-2-[(4-tert-butylphenyl)methyl]-3-hydroxy-butanedioate CAS Name: (2R,3S)-2-[(4-tert-butylphenyl)methyl]-3-hydroxybutanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl (2R,3S)-2-[(4-tert-butylphenyl)methyl]-3-hydroxybutanedioate Traditional Name: (2R,3S)-2-(4-tert-butylbenzyl)-3-hydroxy-succinic acid dibenzyl ester Formula: C29H32O5 MolecularWeight: 460.56138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CC(C(C(=O)OCC2=CC=CC=C2)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[C@H]([C@@H](C(=O)OCC2=CC=CC=C2)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H32O5/c1-29(2,3)24-16-14-21(15-17-24)18-25(27(31)33-19-22-10-6-4-7-11-22)26(30)28(32)34-20-23-12-8-5-9-13-23/h4-17,25-26,30H,18-20H2,1-3H3/t25-,26+/m1/s1