2-[2-acetyloxy-1-(cyclohexen-1-yl)-1-(2H-pyran-2-yl)ethyl]azulene-1-carboxylate

Systemtic Name: 2-[2-acetyloxy-1-(cyclohexen-1-yl)-1-(2H-pyran-2-yl)ethyl]azulene-1-carboxylate Openeye Name: 2-[2-acetoxy-1-(cyclohexen-1-yl)-1-(2H-pyran-2-yl)ethyl]azulene-1-carboxylate CAS Name: 2-[2-acetyloxy-1-(1-cyclohexenyl)-1-(2H-pyran-2-yl)ethyl]-1-azulenecarboxylate IUPAC Name: 2-[2-acetyloxy-1-(cyclohexen-1-yl)-1-(2H-pyran-2-yl)ethyl]azulene-1-carboxylate Traditional Name: 2-[2-acetoxy-1-(cyclohexen-1-yl)-1-(2H-pyran-2-yl)ethyl]azulene-1-carboxylate Formula: C26H25O5- MolecularWeight: 417.4737

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C1C=CC=CO1)(C2=CCCCC2)C3=CC4=CC=CC=CC4=C3C(=O)[O-]

Isomeric SMILES

CC(=O)OCC(C1C=CC=CO1)(C2=CCCCC2)C3=CC4=CC=CC=CC4=C3C(=O)[O-]

InChI

InChI=1S/C26H26O5/c1-18(27)31-17-26(20-11-5-3-6-12-20,23-14-8-9-15-30-23)22-16-19-10-4-2-7-13-21(19)24(22)25(28)29/h2,4,7-11,13-16,23H,3,5-6,12,17H2,1H3,(H,28,29)/p-1