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4-[1-(4-oxidanylbutoxy)pentadec-2-ynoxy]butyl benzoate

4-[1-(4-oxidanylbutoxy)pentadec-2-ynoxy]butyl benzoate

Systemtic Name:4-[1-(4-oxidanylbutoxy)pentadec-2-ynoxy]butyl benzoate
Openeye Name:4-[1-(4-hydroxybutoxy)pentadec-2-ynoxy]butyl benzoate
CAS Name:benzoic acid 4-[1-(4-hydroxybutoxy)pentadec-2-ynoxy]butyl ester
IUPAC Name:4-[1-(4-hydroxybutoxy)pentadec-2-ynoxy]butyl benzoate
Traditional Name:benzoic acid 4-[1-(4-hydroxybutoxy)pentadec-2-ynoxy]butyl ester
Formula: C30H48O5
MolecularWeight: 488.69912
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C30H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-16-23-29(33-25-18-17-24-31)34-26-19-20-27-35-30(32)28-21-14-13-15-22-28/h13-15,21-22,29,31H,2-12,17-20,24-27H2,1H3


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