(E)-7-[2,2-dimethyl-5-(2-methylphenyl)-1,3-dioxan-4-yl]hept-2-enoic acid

Systemtic Name: (E)-7-[2,2-dimethyl-5-(2-methylphenyl)-1,3-dioxan-4-yl]hept-2-enoic acid Openeye Name: (E)-7-[2,2-dimethyl-5-(o-tolyl)-1,3-dioxan-4-yl]hept-2-enoic acid CAS Name: (E)-7-[2,2-dimethyl-5-(2-methylphenyl)-1,3-dioxan-4-yl]-2-heptenoic acid IUPAC Name: (E)-7-[2,2-dimethyl-5-(2-methylphenyl)-1,3-dioxan-4-yl]hept-2-enoic acid Traditional Name: (E)-7-[2,2-dimethyl-5-(o-tolyl)-1,3-dioxan-4-yl]hept-2-enoic acid Formula: C20H28O4 MolecularWeight: 332.43392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2COC(OC2CCCCC=CC(=O)O)(C)C

Isomeric SMILES

CC1=CC=CC=C1C2COC(OC2CCCC/C=C/C(=O)O)(C)C

InChI

InChI=1S/C20H28O4/c1-15-10-8-9-11-16(15)17-14-23-20(2,3)24-18(17)12-6-4-5-7-13-19(21)22/h7-11,13,17-18H,4-6,12,14H2,1-3H3,(H,21,22)/b13-7+