ditert-butyl 2-[(2S)-2-(4-methylphenyl)sulfonyloxy-4-phenylmethoxy-butyl]propanedioate

Systemtic Name: ditert-butyl 2-[(2S)-2-(4-methylphenyl)sulfonyloxy-4-phenylmethoxy-butyl]propanedioate Openeye Name: ditert-butyl 2-[(2S)-4-benzyloxy-2-(p-tolylsulfonyloxy)butyl]propanedioate CAS Name: 2-[(2S)-2-(4-methylphenyl)sulfonyloxy-4-phenylmethoxybutyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[(2S)-2-(4-methylphenyl)sulfonyloxy-4-phenylmethoxybutyl]propanedioate Traditional Name: 2-[(2S)-4-benzoxy-2-tosyloxy-butyl]malonic acid ditert-butyl ester Formula: C29H40O8S MolecularWeight: 548.6881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CCOCC2=CC=CC=C2)CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H](CCOCC2=CC=CC=C2)CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H40O8S/c1-21-13-15-24(16-14-21)38(32,33)37-23(17-18-34-20-22-11-9-8-10-12-22)19-25(26(30)35-28(2,3)4)27(31)36-29(5,6)7/h8-16,23,25H,17-20H2,1-7H3/t23-/m1/s1