butyl (E,5S)-5-oxidanyl-3,8-bis(oxidanylidene)-8-phenyl-oct-6-enoate

Systemtic Name: butyl (E,5S)-5-oxidanyl-3,8-bis(oxidanylidene)-8-phenyl-oct-6-enoate Openeye Name: butyl (E,5S)-5-hydroxy-3,8-dioxo-8-phenyl-oct-6-enoate CAS Name: (E,5S)-5-hydroxy-3,8-dioxo-8-phenyl-6-octenoic acid butyl ester IUPAC Name: butyl (E,5S)-5-hydroxy-3,8-dioxo-8-phenyloct-6-enoate Traditional Name: (E,5S)-5-hydroxy-3,8-diketo-8-phenyl-oct-6-enoic acid butyl ester Formula: C18H22O5 MolecularWeight: 318.36428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC(=O)CC(C=CC(=O)C1=CC=CC=C1)O

Isomeric SMILES

CCCCOC(=O)CC(=O)C[C@@H](/C=C/C(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C18H22O5/c1-2-3-11-23-18(22)13-16(20)12-15(19)9-10-17(21)14-7-5-4-6-8-14/h4-10,15,19H,2-3,11-13H2,1H3/b10-9+/t15-/m1/s1