2-[(1R,2R)-3-oxidanylidene-2-[(Z)-5-sulfooxypent-2-enyl]cyclopentyl]ethanoic acid

Systemtic Name: 2-[(1R,2R)-3-oxidanylidene-2-[(Z)-5-sulfooxypent-2-enyl]cyclopentyl]ethanoic acid Openeye Name: 2-[(1R,2R)-3-oxo-2-[(Z)-5-sulfooxypent-2-enyl]cyclopentyl]acetic acid CAS Name: 2-[(1R,2R)-3-oxo-2-[(Z)-5-sulfooxypent-2-enyl]cyclopentyl]acetic acid IUPAC Name: 2-[(1R,2R)-3-oxo-2-[(Z)-5-sulfooxypent-2-enyl]cyclopentyl]acetic acid Traditional Name: 2-[(1R,2R)-3-keto-2-[(Z)-5-sulfoxypent-2-enyl]cyclopentyl]acetic acid Formula: C12H18O7S MolecularWeight: 306.33212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C1CC(=O)O)CC=CCCOS(=O)(=O)O

Isomeric SMILES

C1CC(=O)[C@@H]([C@H]1CC(=O)O)C/C=C\CCOS(=O)(=O)O

InChI

InChI=1S/C12H18O7S/c13-11-6-5-9(8-12(14)15)10(11)4-2-1-3-7-19-20(16,17)18/h1-2,9-10H,3-8H2,(H,14,15)(H,16,17,18)/b2-1-/t9-,10-/m1/s1