Primary record
DTXSID601118159
- CAS
- 250583-02-9
- PubChem CID
- 11730144
- SMILES
- CC(C)(C)OC(=O)C[C@H](COS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CC3=C(C=C2)OCO3
- Molecular Formula
- C21H23ClO7S
- Molecular Weight
- 454.928
- Exact Mass
- 454.0853
- InChI
- InChI=1S/C21H23ClO7S/c1-21(2,3)29-20(23)11-15(14-4-9-18-19(10-14)27-13-26-18)12-28-30(24,25)17-7-5-16(22)6-8-17/h4-10,15H,11-13H2,1-3H3/t15-/m1/s1
- InChIKey
- MOTHZJZNYOGXDD-OAHLLOKOSA-N
- LogP
- 4.2896
- TPSA
- 88.13
Names and synonyms
- DTXSID601118159
- CID11730144
- J1.178.307D
- (3S)-3-(1,3-Benzodioxole-5-yl)-4-(4-chlorophenylsulfonyloxy)butyric acid tert-butyl ester
- 250583-02-9
- Tert-butyl (3R)-3-benzo[1,3]dioxol-5-yl-4-(4-chlorophenyl)sulfonyloxy-butanoate
- tert-Butyl (3S)-3-(2H-1,3-benzodioxol-5-yl)-4-[(4-chlorobenzene-1-sulfonyl)oxy]butanoate
- tert-butyl (3S)-3-(2H-1,3-benzodioxol-5-yl)-4-[(4-chlorobenzenesulfonyl)oxy]butanoate
- 1,1-Dimethylethyl (I(2)S)-I(2)-[[[(4-chlorophenyl)sulfonyl]oxy]methyl]-1,3-benzodioxole-5-propanoate