methyl (E)-7-[3-acetyloxy-3-(oxan-3-yloxymethyl)-1,2-dihydroinden-2-yl]hept-5-enoate

Systemtic Name: methyl (E)-7-[3-acetyloxy-3-(oxan-3-yloxymethyl)-1,2-dihydroinden-2-yl]hept-5-enoate Openeye Name: methyl (E)-7-[1-acetoxy-1-(tetrahydropyran-3-yloxymethyl)indan-2-yl]hept-5-enoate CAS Name: (E)-7-[3-acetyloxy-3-(3-oxanyloxymethyl)-1,2-dihydroinden-2-yl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[3-acetyloxy-3-(oxan-3-yloxymethyl)-1,2-dihydroinden-2-yl]hept-5-enoate Traditional Name: (E)-7-[1-acetoxy-1-(tetrahydropyran-3-yloxymethyl)indan-2-yl]hept-5-enoic acid methyl ester Formula: C25H34O6 MolecularWeight: 430.53386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(C(CC2=CC=CC=C21)CC=CCCCC(=O)OC)COC3CCCOC3

Isomeric SMILES

CC(=O)OC1(C(CC2=CC=CC=C21)C/C=C/CCCC(=O)OC)COC3CCCOC3

InChI

InChI=1S/C25H34O6/c1-19(26)31-25(18-30-22-12-9-15-29-17-22)21(16-20-10-7-8-13-23(20)25)11-5-3-4-6-14-24(27)28-2/h3,5,7-8,10,13,21-22H,4,6,9,11-12,14-18H2,1-2H3/b5-3+