5-[(5R,6S)-5-ethenyl-6-(phenylmethyl)oct-7-en-1-ynyl]-2,2-dimethyl-1,3-dioxane

Systemtic Name: 5-[(5R,6S)-5-ethenyl-6-(phenylmethyl)oct-7-en-1-ynyl]-2,2-dimethyl-1,3-dioxane Openeye Name: 5-[(5R,6S)-6-benzyl-5-vinyl-oct-7-en-1-ynyl]-2,2-dimethyl-1,3-dioxane CAS Name: 5-[(5R,6S)-5-ethenyl-6-(phenylmethyl)oct-7-en-1-ynyl]-2,2-dimethyl-1,3-dioxane IUPAC Name: 5-[(5R,6S)-6-benzyl-5-ethenyloct-7-en-1-ynyl]-2,2-dimethyl-1,3-dioxane Traditional Name: 5-[(5R,6S)-6-benzyl-5-vinyl-oct-7-en-1-ynyl]-2,2-dimethyl-1,3-dioxane Formula: C23H30O2 MolecularWeight: 338.4831

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)C#CCCC(C=C)C(CC2=CC=CC=C2)C=C)C

Isomeric SMILES

CC1(OCC(CO1)C#CCC[C@H](C=C)[C@@H](CC2=CC=CC=C2)C=C)C

InChI

InChI=1S/C23H30O2/c1-5-21(22(6-2)16-19-12-8-7-9-13-19)15-11-10-14-20-17-24-23(3,4)25-18-20/h5-9,12-13,20-22H,1-2,11,15-18H2,3-4H3/t21-,22+/m0/s1