4-methyl-5-[(E)-octadec-2-enyl]-4,5,6,7-tetrahydro-2-benzofuran-1,3-dione

Systemtic Name: 4-methyl-5-[(E)-octadec-2-enyl]-4,5,6,7-tetrahydro-2-benzofuran-1,3-dione Openeye Name: 4-methyl-5-[(E)-octadec-2-enyl]-4,5,6,7-tetrahydroisobenzofuran-1,3-dione CAS Name: 4-methyl-5-[(E)-octadec-2-enyl]-4,5,6,7-tetrahydroisobenzofuran-1,3-dione IUPAC Name: 4-methyl-5-[(E)-octadec-2-enyl]-4,5,6,7-tetrahydro-2-benzofuran-1,3-dione Traditional Name: 4-methyl-5-[(E)-octadec-2-enyl]-4,5,6,7-tetrahydroisobenzofuran-1,3-quinone Formula: C27H44O3 MolecularWeight: 416.63646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=CCC1CCC2=C(C1C)C(=O)OC2=O

Isomeric SMILES

CCCCCCCCCCCCCCC/C=C/CC1CCC2=C(C1C)C(=O)OC2=O

InChI

InChI=1S/C27H44O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-21-24-25(22(23)2)27(29)30-26(24)28/h17-18,22-23H,3-16,19-21H2,1-2H3/b18-17+