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

Systemtic Name: methyl (E)-7-[1-acetyloxy-3-[(E)-3-oxidanylideneoct-1-enyl]-2,3-dihydro-1H-inden-2-yl]hept-5-enoate Openeye Name: methyl (E)-7-[1-acetoxy-3-[(E)-3-oxooct-1-enyl]indan-2-yl]hept-5-enoate CAS Name: (E)-7-[1-acetyloxy-3-[(E)-3-oxooct-1-enyl]-2,3-dihydro-1H-inden-2-yl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[1-acetyloxy-3-[(E)-3-oxooct-1-enyl]-2,3-dihydro-1H-inden-2-yl]hept-5-enoate Traditional Name: (E)-7-[1-acetoxy-3-[(E)-3-ketooct-1-enyl]indan-2-yl]hept-5-enoic acid methyl ester Formula: C27H36O5 MolecularWeight: 440.57174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C=CC1C(C(C2=CC=CC=C12)OC(=O)C)CC=CCCCC(=O)OC

Isomeric SMILES

CCCCCC(=O)/C=C/C1C(C(C2=CC=CC=C12)OC(=O)C)C/C=C/CCCC(=O)OC

InChI

InChI=1S/C27H36O5/c1-4-5-8-13-21(29)18-19-23-22-14-11-12-16-24(22)27(32-20(2)28)25(23)15-9-6-7-10-17-26(30)31-3/h6,9,11-12,14,16,18-19,23,25,27H,4-5,7-8,10,13,15,17H2,1-3H3/b9-6+,19-18+