4-(1-ethoxypentadec-2-ynoxy)butyl benzoate

Systemtic Name: 4-(1-ethoxypentadec-2-ynoxy)butyl benzoate Openeye Name: 4-(1-ethoxypentadec-2-ynoxy)butyl benzoate CAS Name: benzoic acid 4-(1-ethoxypentadec-2-ynoxy)butyl ester IUPAC Name: 4-(1-ethoxypentadec-2-ynoxy)butyl benzoate Traditional Name: benzoic acid 4-(1-ethoxypentadec-2-ynoxy)butyl ester Formula: C28H44O4 MolecularWeight: 444.64656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC#CC(OCC)OCCCCOC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCC#CC(OCC)OCCCCOC(=O)C1=CC=CC=C1

InChI

InChI=1S/C28H44O4/c1-3-5-6-7-8-9-10-11-12-13-14-18-23-27(30-4-2)31-24-19-20-25-32-28(29)26-21-16-15-17-22-26/h15-17,21-22,27H,3-14,19-20,24-25H2,1-2H3