(2E)-5-methyl-2-[1-(oxan-2-yloxy)-1H-pentalen-2-ylidene]hex-5-enoate

Systemtic Name: (2E)-5-methyl-2-[1-(oxan-2-yloxy)-1H-pentalen-2-ylidene]hex-5-enoate Openeye Name: (2E)-5-methyl-2-(1-tetrahydropyran-2-yloxy-1H-pentalen-2-ylidene)hex-5-enoate CAS Name: (2E)-5-methyl-2-[1-(2-oxanyloxy)-1H-pentalen-2-ylidene]-5-hexenoate IUPAC Name: (2E)-5-methyl-2-[1-(oxan-2-yloxy)-1H-pentalen-2-ylidene]hex-5-enoate Traditional Name: (2E)-5-methyl-2-(1-tetrahydropyran-2-yloxy-1H-pentalen-2-ylidene)hex-5-enoate Formula: C20H23O4- MolecularWeight: 327.39422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CCC(=C1C=C2C=CC=C2C1OC3CCCCO3)C(=O)[O-]

Isomeric SMILES

CC(=C)CC/C(=C\1/C=C2C=CC=C2C1OC3CCCCO3)/C(=O)[O-]

InChI

InChI=1S/C20H24O4/c1-13(2)9-10-16(20(21)22)17-12-14-6-5-7-15(14)19(17)24-18-8-3-4-11-23-18/h5-7,12,18-19H,1,3-4,8-11H2,2H3,(H,21,22)/p-1/b17-16+