(E)-8-[4-(2-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]oct-6-enoic acid

Systemtic Name: (E)-8-[4-(2-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]oct-6-enoic acid Openeye Name: (E)-8-[4-(2-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]oct-6-enoic acid CAS Name: (E)-8-[4-(2-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]-6-octenoic acid IUPAC Name: (E)-8-[4-(2-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]oct-6-enoic acid Traditional Name: (E)-8-[4-(2-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]oct-6-enoic acid Formula: C21H30O5 MolecularWeight: 362.4599

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(C(O1)C2=CC=CC=C2OC)CC=CCCCCC(=O)O)C

Isomeric SMILES

CC1(OCC(C(O1)C2=CC=CC=C2OC)C/C=C/CCCCC(=O)O)C

InChI

InChI=1S/C21H30O5/c1-21(2)25-15-16(11-7-5-4-6-8-14-19(22)23)20(26-21)17-12-9-10-13-18(17)24-3/h5,7,9-10,12-13,16,20H,4,6,8,11,14-15H2,1-3H3,(H,22,23)/b7-5+