3-ethoxycarbonyl-3-oxidanyl-5-oxidanylidene-5-(3,4,5-trimethoxyphenyl)sulfonyloxy-pentanoic acid

Systemtic Name: 3-ethoxycarbonyl-3-oxidanyl-5-oxidanylidene-5-(3,4,5-trimethoxyphenyl)sulfonyloxy-pentanoic acid Openeye Name: 3-ethoxycarbonyl-3-hydroxy-5-oxo-5-(3,4,5-trimethoxyphenyl)sulfonyloxy-pentanoic acid CAS Name: 3-ethoxycarbonyl-3-hydroxy-5-oxo-5-(3,4,5-trimethoxyphenyl)sulfonyloxypentanoic acid IUPAC Name: 3-ethoxycarbonyl-3-hydroxy-5-oxo-5-(3,4,5-trimethoxyphenyl)sulfonyloxypentanoic acid Traditional Name: 3-carbethoxy-3-hydroxy-5-keto-5-(3,4,5-trimethoxyphenyl)sulfonyloxy-valeric acid Formula: C17H22O12S MolecularWeight: 450.41438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)O)(CC(=O)OS(=O)(=O)C1=CC(=C(C(=C1)OC)OC)OC)O

Isomeric SMILES

CCOC(=O)C(CC(=O)O)(CC(=O)OS(=O)(=O)C1=CC(=C(C(=C1)OC)OC)OC)O

InChI

InChI=1S/C17H22O12S/c1-5-28-16(21)17(22,8-13(18)19)9-14(20)29-30(23,24)10-6-11(25-2)15(27-4)12(7-10)26-3/h6-7,22H,5,8-9H2,1-4H3,(H,18,19)