(2S)-2-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-sulfonatooxy-ethanesulfonate

Systemtic Name: (2S)-2-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-sulfonatooxy-ethanesulfonate Openeye Name: (2S)-2-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-sulfonatooxy-ethanesulfonate CAS Name: (2S)-2-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-sulfonatooxyethanesulfonate IUPAC Name: (2S)-2-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-sulfonatooxyethanesulfonate Traditional Name: (2S)-2-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-sulfato-ethanesulfonate Formula: C9H14O10S2-2 MolecularWeight: 346.33146

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2CC(OC2O1)C(CS(=O)(=O)[O-])OS(=O)(=O)[O-])C

Isomeric SMILES

CC1(O[C@@H]2C[C@H](O[C@@H]2O1)[C@@H](CS(=O)(=O)[O-])OS(=O)(=O)[O-])C

InChI

InChI=1S/C9H16O10S2/c1-9(2)17-6-3-5(16-8(6)18-9)7(4-20(10,11)12)19-21(13,14)15/h5-8H,3-4H2,1-2H3,(H,10,11,12)(H,13,14,15)/p-2/t5-,6+,7+,8+/m0/s1