(E)-2-oxidanyl-4-phenoxy-hex-2-enoate; (E)-2-oxidanyl-6-phenoxy-hex-2-enoate

Systemtic Name: (E)-2-oxidanyl-4-phenoxy-hex-2-enoate; (E)-2-oxidanyl-6-phenoxy-hex-2-enoate Openeye Name: (E)-2-hydroxy-4-phenoxy-hex-2-enoate; (E)-2-hydroxy-6-phenoxy-hex-2-enoate CAS Name: (E)-2-hydroxy-4-phenoxy-2-hexenoate; (E)-2-hydroxy-6-phenoxy-2-hexenoate IUPAC Name: (E)-2-hydroxy-4-phenoxyhex-2-enoate; (E)-2-hydroxy-6-phenoxyhex-2-enoate Traditional Name: (E)-2-hydroxy-4-phenoxy-hex-2-enoate; (E)-2-hydroxy-6-phenoxy-hex-2-enoate Formula: C24H26O8-2 MolecularWeight: 442.45844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=C(C(=O)[O-])O)OC1=CC=CC=C1.C1=CC=C(C=C1)OCCCC=C(C(=O)[O-])O

Isomeric SMILES

CCC(/C=C(\C(=O)[O-])/O)OC1=CC=CC=C1.C1=CC=C(C=C1)OCCC/C=C(\C(=O)[O-])/O

InChI

InChI=1S/2C12H14O4/c1-2-9(8-11(13)12(14)15)16-10-6-4-3-5-7-10;13-11(12(14)15)8-4-5-9-16-10-6-2-1-3-7-10/h3-9,13H,2H2,1H3,(H,14,15);1-3,6-8,13H,4-5,9H2,(H,14,15)/p-2/b2*11-8+