3-bicyclo[3.1.0]hexa-1(6),2,4-trienyl ethanoate; pent-1-yne

Systemtic Name: 3-bicyclo[3.1.0]hexa-1(6),2,4-trienyl ethanoate; pent-1-yne Openeye Name: 3-bicyclo[3.1.0]hexa-1(6),2,4-trienyl acetate; pent-1-yne CAS Name: acetic acid 3-bicyclo[3.1.0]hexa-1(6),2,4-trienyl ester; 1-pentyne IUPAC Name: 3-bicyclo[3.1.0]hexa-1(6),2,4-trienyl acetate; pent-1-yne Traditional Name: acetic acid 3-bicyclo[3.1.0]hexa-1(6),2,4-trienyl ester; pent-1-yne Formula: C13H14O2 MolecularWeight: 202.24906

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#C.CC(=O)OC1=CC2=CC2=C1

Isomeric SMILES

CCCC#C.CC(=O)OC1=CC2=CC2=C1

InChI

InChI=1S/C8H6O2.C5H8/c1-5(9)10-8-3-6-2-7(6)4-8;1-3-5-4-2/h2-4H,1H3;1H,4-5H2,2H3