1-hexyl-3-(oxiran-2-ylmethyl)-4-prop-2-enyl-cyclohexa-2,4-diene-1,2-dicarboxylate

Systemtic Name: 1-hexyl-3-(oxiran-2-ylmethyl)-4-prop-2-enyl-cyclohexa-2,4-diene-1,2-dicarboxylate Openeye Name: 4-allyl-1-hexyl-3-(oxiran-2-ylmethyl)cyclohexa-2,4-diene-1,2-dicarboxylate CAS Name: 1-hexyl-3-(2-oxiranylmethyl)-4-prop-2-enylcyclohexa-2,4-diene-1,2-dicarboxylate IUPAC Name: 1-hexyl-3-(oxiran-2-ylmethyl)-4-prop-2-enylcyclohexa-2,4-diene-1,2-dicarboxylate Traditional Name: 4-allyl-3-glycidyl-1-hexyl-cyclohexa-2,4-diene-1,2-dicarboxylate Formula: C20H26O5-2 MolecularWeight: 346.41744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(CC=C(C(=C1C(=O)[O-])CC2CO2)CC=C)C(=O)[O-]

Isomeric SMILES

CCCCCCC1(CC=C(C(=C1C(=O)[O-])CC2CO2)CC=C)C(=O)[O-]

InChI

InChI=1S/C20H28O5/c1-3-5-6-7-10-20(19(23)24)11-9-14(8-4-2)16(12-15-13-25-15)17(20)18(21)22/h4,9,15H,2-3,5-8,10-13H2,1H3,(H,21,22)(H,23,24)/p-2