3-(2,3-dihydro-1H-inden-5-ylsulfonyloxycarbonyl)-5-ethoxy-3-oxidanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 3-(2,3-dihydro-1H-inden-5-ylsulfonyloxycarbonyl)-5-ethoxy-3-oxidanyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-ethoxy-3-hydroxy-3-indan-5-ylsulfonyloxycarbonyl-5-oxo-pentanoic acid CAS Name: 3-[2,3-dihydro-1H-inden-5-ylsulfonyloxy(oxo)methyl]-5-ethoxy-3-hydroxy-5-oxopentanoic acid IUPAC Name: 3-(2,3-dihydro-1H-inden-5-ylsulfonyloxycarbonyl)-5-ethoxy-3-hydroxy-5-oxopentanoic acid Traditional Name: 5-ethoxy-3-hydroxy-3-indan-5-ylsulfonyloxycarbonyl-5-keto-valeric acid Formula: C17H20O9S MolecularWeight: 400.4003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC(=O)O)(C(=O)OS(=O)(=O)C1=CC2=C(CCC2)C=C1)O

Isomeric SMILES

CCOC(=O)CC(CC(=O)O)(C(=O)OS(=O)(=O)C1=CC2=C(CCC2)C=C1)O

InChI

InChI=1S/C17H20O9S/c1-2-25-15(20)10-17(22,9-14(18)19)16(21)26-27(23,24)13-7-6-11-4-3-5-12(11)8-13/h6-8,22H,2-5,9-10H2,1H3,(H,18,19)