13-hexyl-1-oxacyclotridecan-2-one benzoate

Systemtic Name: 13-hexyl-1-oxacyclotridecan-2-one benzoate Openeye Name: 13-hexyl-oxacyclotridecan-2-one benzoate CAS Name: 13-hexyl-oxacyclotridecan-2-one benzoate IUPAC Name: 13-hexyl-oxacyclotridecan-2-one benzoate Traditional Name: 13-hexyl-oxacyclotridecan-2-one benzoate Formula: C25H39O4- MolecularWeight: 403.57476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCCCCCCCCCC(=O)O1.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCCCCCC1CCCCCCCCCCC(=O)O1.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C18H34O2.C7H6O2/c1-2-3-4-11-14-17-15-12-9-7-5-6-8-10-13-16-18(19)20-17;8-7(9)6-4-2-1-3-5-6/h17H,2-16H2,1H3;1-5H,(H,8,9)/p-1