(E)-4-oxidanyl-3-(phenylsulfonyl)hept-5-enoic acid

Systemtic Name: (E)-4-oxidanyl-3-(phenylsulfonyl)hept-5-enoic acid Openeye Name: (E)-3-(benzenesulfonyl)-4-hydroxy-hept-5-enoic acid CAS Name: (E)-3-(benzenesulfonyl)-4-hydroxy-5-heptenoic acid IUPAC Name: (E)-3-(benzenesulfonyl)-4-hydroxyhept-5-enoic acid Traditional Name: (E)-3-besyl-4-hydroxy-hept-5-enoic acid Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O5S/c1-2-6-11(14)12(9-13(15)16)19(17,18)10-7-4-3-5-8-10/h2-8,11-12,14H,9H2,1H3,(H,15,16)/b6-2+