3-[(3R,6S)-3,6-dimethyl-6-(8-phenyloctyl)-1,2-dioxan-3-yl]propanoic acid

Systemtic Name: 3-[(3R,6S)-3,6-dimethyl-6-(8-phenyloctyl)-1,2-dioxan-3-yl]propanoic acid Openeye Name: 3-[(3R,6S)-3,6-dimethyl-6-(8-phenyloctyl)dioxan-3-yl]propanoic acid CAS Name: 3-[(3R,6S)-3,6-dimethyl-6-(8-phenyloctyl)-3-dioxanyl]propanoic acid IUPAC Name: 3-[(3R,6S)-3,6-dimethyl-6-(8-phenyloctyl)dioxan-3-yl]propanoic acid Traditional Name: 3-[(3R,6S)-3,6-dimethyl-6-(8-phenyloctyl)dioxan-3-yl]propionic acid Formula: C23H36O4 MolecularWeight: 376.52954

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(OO1)(C)CCC(=O)O)CCCCCCCCC2=CC=CC=C2

Isomeric SMILES

C[C@@]1(CC[C@](OO1)(C)CCC(=O)O)CCCCCCCCC2=CC=CC=C2

InChI

InChI=1S/C23H36O4/c1-22(18-19-23(2,27-26-22)17-15-21(24)25)16-11-6-4-3-5-8-12-20-13-9-7-10-14-20/h7,9-10,13-14H,3-6,8,11-12,15-19H2,1-2H3,(H,24,25)/t22-,23-/m0/s1