sodium (E)-7-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)hept-5-enoate

Systemtic Name: sodium (E)-7-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)hept-5-enoate Openeye Name: sodium (E)-7-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)hept-5-enoate CAS Name: sodium (E)-7-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-5-heptenoate IUPAC Name: sodium (E)-7-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)hept-5-enoate Traditional Name: sodium (E)-7-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)hept-5-enoate Formula: C19H25NaO4 MolecularWeight: 340.38917

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(C(O1)C2=CC=CC=C2)CC=CCCCC(=O)[O-])C.[Na+]

Isomeric SMILES

CC1(OCC(C(O1)C2=CC=CC=C2)C/C=C/CCCC(=O)[O-])C.[Na+]

InChI

InChI=1S/C19H26O4.Na/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;/h3,5-8,10-11,16,18H,4,9,12-14H2,1-2H3,(H,20,21);/q;+1/p-1/b6-3+;