4-[(E)-hexadec-2-enyl]-6-methyl-2-benzofuran-1,3-dione

Systemtic Name: 4-[(E)-hexadec-2-enyl]-6-methyl-2-benzofuran-1,3-dione Openeye Name: 4-[(E)-hexadec-2-enyl]-6-methyl-isobenzofuran-1,3-dione CAS Name: 4-[(E)-hexadec-2-enyl]-6-methylisobenzofuran-1,3-dione IUPAC Name: 4-[(E)-hexadec-2-enyl]-6-methyl-2-benzofuran-1,3-dione Traditional Name: 4-[(E)-hexadec-2-enyl]-6-methyl-phthalan-1,3-quinone Formula: C25H36O3 MolecularWeight: 384.55154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CCC1=C2C(=CC(=C1)C)C(=O)OC2=O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/CC1=C2C(=CC(=C1)C)C(=O)OC2=O

InChI

InChI=1S/C25H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-20(2)19-22-23(21)25(27)28-24(22)26/h15-16,18-19H,3-14,17H2,1-2H3/b16-15+