(2S,3S,4S,5R,6S)-3,4,5-tris(oxidanyl)-6-(3-oxidanylidene-3-propan-2-yloxy-2-propan-2-yloxycarbonyl-1-sulfanyl-prop-1-enyl)sulfanyl-oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6S)-3,4,5-tris(oxidanyl)-6-(3-oxidanylidene-3-propan-2-yloxy-2-propan-2-yloxycarbonyl-1-sulfanyl-prop-1-enyl)sulfanyl-oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-isopropoxy-2-isopropoxycarbonyl-3-oxo-1-sulfanyl-prop-1-enyl)sulfanyl-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[1-mercapto-3-oxo-2-[oxo(propan-2-yloxy)methyl]-3-propan-2-yloxyprop-1-enyl]thio]-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-oxo-3-propan-2-yloxy-2-propan-2-yloxycarbonyl-1-sulfanylprop-1-enyl)sulfanyloxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(3-isopropoxy-2-isopropoxycarbonyl-3-keto-1-mercapto-prop-1-enyl)thio]tetrahydropyran-2-carboxylic acid Formula: C16H24O10S2 MolecularWeight: 440.48576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(=C(S)SC1C(C(C(C(O1)C(=O)O)O)O)O)C(=O)OC(C)C

Isomeric SMILES

CC(C)OC(=O)C(=C(S)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(=O)OC(C)C

InChI

InChI=1S/C16H24O10S2/c1-5(2)24-13(22)7(14(23)25-6(3)4)16(27)28-15-10(19)8(17)9(18)11(26-15)12(20)21/h5-6,8-11,15,17-19,27H,1-4H3,(H,20,21)/t8-,9-,10+,11-,15-/m0/s1