(E)-4-[(4S,6S)-2,2-dimethyl-6-phenethyl-1,3-dioxan-4-yl]but-2-enal

Systemtic Name: (E)-4-[(4S,6S)-2,2-dimethyl-6-phenethyl-1,3-dioxan-4-yl]but-2-enal Openeye Name: (E)-4-[(4S,6S)-2,2-dimethyl-6-phenethyl-1,3-dioxan-4-yl]but-2-enal CAS Name: (E)-4-[(4S,6S)-2,2-dimethyl-6-phenethyl-1,3-dioxan-4-yl]-2-butenal IUPAC Name: (E)-4-[(4S,6S)-2,2-dimethyl-6-phenethyl-1,3-dioxan-4-yl]but-2-enal Traditional Name: (E)-4-[(4S,6S)-2,2-dimethyl-6-phenethyl-1,3-dioxan-4-yl]but-2-enal Formula: C18H24O3 MolecularWeight: 288.38136

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(CC(O1)CC=CC=O)CCC2=CC=CC=C2)C

Isomeric SMILES

CC1(O[C@H](C[C@@H](O1)C/C=C/C=O)CCC2=CC=CC=C2)C

InChI

InChI=1S/C18H24O3/c1-18(2)20-16(10-6-7-13-19)14-17(21-18)12-11-15-8-4-3-5-9-15/h3-9,13,16-17H,10-12,14H2,1-2H3/b7-6+/t16-,17-/m0/s1