(E,2R)-2,4-dimethyl-22-[4-(oxan-2-yloxy)phenyl]docos-3-enoic acid

Systemtic Name: (E,2R)-2,4-dimethyl-22-[4-(oxan-2-yloxy)phenyl]docos-3-enoic acid Openeye Name: (E,2R)-2,4-dimethyl-22-(4-tetrahydropyran-2-yloxyphenyl)docos-3-enoic acid CAS Name: (E,2R)-2,4-dimethyl-22-[4-(2-oxanyloxy)phenyl]-3-docosenoic acid IUPAC Name: (E,2R)-2,4-dimethyl-22-[4-(oxan-2-yloxy)phenyl]docos-3-enoic acid Traditional Name: (E,2R)-2,4-dimethyl-22-(4-tetrahydropyran-2-yloxyphenyl)docos-3-enoic acid Formula: C35H58O4 MolecularWeight: 542.83262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C(C)CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)OC2CCCCO2)C(=O)O

Isomeric SMILES

C[C@H](/C=C(\C)/CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)OC2CCCCO2)C(=O)O

InChI

InChI=1S/C35H58O4/c1-30(29-31(2)35(36)37)21-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-22-32-24-26-33(27-25-32)39-34-23-19-20-28-38-34/h24-27,29,31,34H,3-23,28H2,1-2H3,(H,36,37)/b30-29+/t31-,34?/m1/s1