methyl (E)-7-[1-acetyloxy-3-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]hept-5-enoate

Systemtic Name: methyl (E)-7-[1-acetyloxy-3-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]hept-5-enoate Openeye Name: methyl (E)-7-[1-acetoxy-3-(hydroxymethyl)indan-2-yl]hept-5-enoate CAS Name: (E)-7-[1-acetyloxy-3-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[1-acetyloxy-3-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]hept-5-enoate Traditional Name: (E)-7-(1-acetoxy-3-methylol-indan-2-yl)hept-5-enoic acid methyl ester Formula: C20H26O5 MolecularWeight: 346.41744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(C2=CC=CC=C12)CO)CC=CCCCC(=O)OC

Isomeric SMILES

CC(=O)OC1C(C(C2=CC=CC=C12)CO)C/C=C/CCCC(=O)OC

InChI

InChI=1S/C20H26O5/c1-14(22)25-20-16-11-8-7-9-15(16)18(13-21)17(20)10-5-3-4-6-12-19(23)24-2/h3,5,7-9,11,17-18,20-21H,4,6,10,12-13H2,1-2H3/b5-3+