(E)-3-[5-methyl-2-(4-methyl-5-oxidanylidene-3-propanoyloxy-hexan-2-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-methyl-2-(4-methyl-5-oxidanylidene-3-propanoyloxy-hexan-2-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(1,3-dimethyl-4-oxo-2-propanoyloxy-pentyl)-5-methyl-phenyl]prop-2-enoic acid CAS Name: (E)-3-[5-methyl-2-[4-methyl-5-oxo-3-(1-oxopropoxy)hexan-2-yl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[5-methyl-2-(4-methyl-5-oxo-3-propanoyloxyhexan-2-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(4-keto-1,3-dimethyl-2-propionyloxy-pentyl)-5-methyl-phenyl]acrylic acid Formula: C20H26O5 MolecularWeight: 346.41744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(C(C)C1=C(C=C(C=C1)C)C=CC(=O)O)C(C)C(=O)C

Isomeric SMILES

CCC(=O)OC(C(C)C1=C(C=C(C=C1)C)/C=C/C(=O)O)C(C)C(=O)C

InChI

InChI=1S/C20H26O5/c1-6-19(24)25-20(13(3)15(5)21)14(4)17-9-7-12(2)11-16(17)8-10-18(22)23/h7-11,13-14,20H,6H2,1-5H3,(H,22,23)/b10-8+