(E)-3-[5-methyl-2-[(2S,3S,4S)-4-methyl-5-oxidanylidene-3-propanoyloxy-hexan-2-yl]phenyl]prop-2-enoate

Systemtic Name: (E)-3-[5-methyl-2-[(2S,3S,4S)-4-methyl-5-oxidanylidene-3-propanoyloxy-hexan-2-yl]phenyl]prop-2-enoate Openeye Name: (E)-3-[2-[(1S,2S,3S)-1,3-dimethyl-4-oxo-2-propanoyloxy-pentyl]-5-methyl-phenyl]prop-2-enoate CAS Name: (E)-3-[5-methyl-2-[(2S,3S,4S)-4-methyl-5-oxo-3-(1-oxopropoxy)hexan-2-yl]phenyl]-2-propenoate IUPAC Name: (E)-3-[5-methyl-2-[(2S,3S,4S)-4-methyl-5-oxo-3-propanoyloxyhexan-2-yl]phenyl]prop-2-enoate Traditional Name: (E)-3-[2-[(1S,2S,3S)-4-keto-1,3-dimethyl-2-propionyloxy-pentyl]-5-methyl-phenyl]acrylate Formula: C20H25O5- MolecularWeight: 345.4095

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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)O[C@@H]([C@@H](C)C1=C(C=C(C=C1)C)/C=C/C(=O)[O-])[C@H](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)/p-1/b10-8+/t13-,14+,20-/m1/s1