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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2COC(OC2CC=CCCCC(=O)O)(C)C

Isomeric SMILES

CC1=CC=CC=C1C2COC(OC2C/C=C/CCCC(=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/h4,6,8-11,17-18H,5,7,12-14H2,1-3H3,(H,21,22)/b6-4+