(phenylmethyl) 11-[3-bromanyl-5-[(E)-pent-1-enyl]furan-2-yl]undec-10-ynoate

Systemtic Name: (phenylmethyl) 11-[3-bromanyl-5-[(E)-pent-1-enyl]furan-2-yl]undec-10-ynoate Openeye Name: benzyl 11-[3-bromo-5-[(E)-pent-1-enyl]-2-furyl]undec-10-ynoate CAS Name: 11-[3-bromo-5-[(E)-pent-1-enyl]-2-furanyl]-10-undecynoic acid (phenylmethyl) ester IUPAC Name: benzyl 11-[3-bromo-5-[(E)-pent-1-enyl]furan-2-yl]undec-10-ynoate Traditional Name: 11-[3-bromo-5-[(E)-pent-1-enyl]-2-furyl]undec-10-ynoic acid benzyl ester Formula: C27H33BrO3 MolecularWeight: 485.45312

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC1=CC(=C(O1)C#CCCCCCCCCC(=O)OCC2=CC=CC=C2)Br

Isomeric SMILES

CCC/C=C/C1=CC(=C(O1)C#CCCCCCCCCC(=O)OCC2=CC=CC=C2)Br

InChI

InChI=1S/C27H33BrO3/c1-2-3-11-18-24-21-25(28)26(31-24)19-14-8-6-4-5-7-9-15-20-27(29)30-22-23-16-12-10-13-17-23/h10-13,16-18,21H,2-9,15,20,22H2,1H3/b18-11+