4-phenylbicyclo[3.1.0]hexa-1(6),2,4-triene; 2-phenylbut-3-ynoic acid

Systemtic Name: 4-phenylbicyclo[3.1.0]hexa-1(6),2,4-triene; 2-phenylbut-3-ynoic acid Openeye Name: 4-phenylbicyclo[3.1.0]hexa-1(6),2,4-triene; 2-phenylbut-3-ynoic acid CAS Name: 4-phenylbicyclo[3.1.0]hexa-1(6),2,4-triene; 2-phenyl-3-butynoic acid IUPAC Name: 4-phenylbicyclo[3.1.0]hexa-1(6),2,4-triene; 2-phenylbut-3-ynoic acid Traditional Name: 4-phenylbicyclo[3.1.0]hexa-1(6),2,4-triene; 2-phenylbut-3-ynoic acid Formula: C22H16O2 MolecularWeight: 312.36124

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(C1=CC=CC=C1)C(=O)O.C1=CC=C(C=C1)C2=C3C=C3C=C2

Isomeric SMILES

C#CC(C1=CC=CC=C1)C(=O)O.C1=CC=C(C=C1)C2=C3C=C3C=C2

InChI

InChI=1S/C12H8.C10H8O2/c1-2-4-9(5-3-1)11-7-6-10-8-12(10)11;1-2-9(10(11)12)8-6-4-3-5-7-8/h1-8H;1,3-7,9H,(H,11,12)