2-(2-methoxycarbonyl-5-methylsulfonyloxy-4,5,6,6a-tetrahydro-1H-pentalen-2-yl)ethanoic acid

Systemtic Name: 2-(2-methoxycarbonyl-5-methylsulfonyloxy-4,5,6,6a-tetrahydro-1H-pentalen-2-yl)ethanoic acid Openeye Name: 2-(2-methoxycarbonyl-5-methylsulfonyloxy-4,5,6,6a-tetrahydro-1H-pentalen-2-yl)acetic acid CAS Name: 2-(2-methoxycarbonyl-5-methylsulfonyloxy-4,5,6,6a-tetrahydro-1H-pentalen-2-yl)acetic acid IUPAC Name: 2-(2-methoxycarbonyl-5-methylsulfonyloxy-4,5,6,6a-tetrahydro-1H-pentalen-2-yl)acetic acid Traditional Name: 2-(2-carbomethoxy-5-methylsulfonyloxy-4,5,6,6a-tetrahydro-1H-pentalen-2-yl)acetic acid Formula: C13H18O7S MolecularWeight: 318.34282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC2CC(CC2=C1)OS(=O)(=O)C)CC(=O)O

Isomeric SMILES

COC(=O)C1(CC2CC(CC2=C1)OS(=O)(=O)C)CC(=O)O

InChI

InChI=1S/C13H18O7S/c1-19-12(16)13(7-11(14)15)5-8-3-10(4-9(8)6-13)20-21(2,17)18/h5,9-10H,3-4,6-7H2,1-2H3,(H,14,15)