(E)-5-oxidanyl-6-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfonyl-8-phenyl-oct-7-enoic acid

Systemtic Name: (E)-5-oxidanyl-6-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfonyl-8-phenyl-oct-7-enoic acid Openeye Name: (E)-5-hydroxy-6-(2-hydroxy-1-methyl-2-oxo-ethyl)sulfonyl-8-phenyl-oct-7-enoic acid CAS Name: (E)-5-hydroxy-6-(1-hydroxy-1-oxopropan-2-yl)sulfonyl-8-phenyl-7-octenoic acid IUPAC Name: (E)-5-hydroxy-6-(1-hydroxy-1-oxopropan-2-yl)sulfonyl-8-phenyloct-7-enoic acid Traditional Name: (E)-5-hydroxy-6-(2-hydroxy-2-keto-1-methyl-ethyl)sulfonyl-8-phenyl-oct-7-enoic acid Formula: C17H22O7S MolecularWeight: 370.41738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)S(=O)(=O)C(C=CC1=CC=CC=C1)C(CCCC(=O)O)O

Isomeric SMILES

CC(C(=O)O)S(=O)(=O)C(/C=C/C1=CC=CC=C1)C(CCCC(=O)O)O

InChI

InChI=1S/C17H22O7S/c1-12(17(21)22)25(23,24)15(14(18)8-5-9-16(19)20)11-10-13-6-3-2-4-7-13/h2-4,6-7,10-12,14-15,18H,5,8-9H2,1H3,(H,19,20)(H,21,22)/b11-10+