(3E)-16-hexyl-1-oxacyclohexadec-3-ene-2,5-dione

Systemtic Name: (3E)-16-hexyl-1-oxacyclohexadec-3-ene-2,5-dione Openeye Name: (3E)-16-hexyl-1-oxacyclohexadec-3-ene-2,5-dione CAS Name: (3E)-16-hexyl-1-oxacyclohexadec-3-ene-2,5-dione IUPAC Name: (3E)-16-hexyl-1-oxacyclohexadec-3-ene-2,5-dione Traditional Name: (3E)-16-hexyl-1-oxacyclohexadec-3-ene-2,5-quinone Formula: C21H36O3 MolecularWeight: 336.50874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCCCCCCCCCC(=O)C=CC(=O)O1

Isomeric SMILES

CCCCCCC1CCCCCCCCCCC(=O)/C=C/C(=O)O1

InChI

InChI=1S/C21H36O3/c1-2-3-4-12-15-20-16-13-10-8-6-5-7-9-11-14-19(22)17-18-21(23)24-20/h17-18,20H,2-16H2,1H3/b18-17+