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

Systemtic Name: (E)-7-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]hept-2-enoic acid Openeye Name: (E)-7-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]hept-2-enoic acid CAS Name: (E)-7-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-2-heptenoic acid IUPAC Name: (E)-7-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]hept-2-enoic acid Traditional Name: (E)-7-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]hept-2-enoic acid Formula: C19H26O4 MolecularWeight: 318.40734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(OC[C@H]([C@H](O1)C2=CC=CC=C2)CCCC/C=C/C(=O)O)C

InChI

InChI=1S/C19H26O4/c1-19(2)22-14-16(12-6-3-4-9-13-17(20)21)18(23-19)15-10-7-5-8-11-15/h5,7-11,13,16,18H,3-4,6,12,14H2,1-2H3,(H,20,21)/b13-9+/t16-,18-/m1/s1