4-phenylbicyclo[3.1.0]hexa-1(6),2,4-triene hydrate

Systemtic Name: 4-phenylbicyclo[3.1.0]hexa-1(6),2,4-triene hydrate Openeye Name: 4-phenylbicyclo[3.1.0]hexa-1(6),2,4-triene hydrate CAS Name: 4-phenylbicyclo[3.1.0]hexa-1(6),2,4-triene hydrate IUPAC Name: 4-phenylbicyclo[3.1.0]hexa-1(6),2,4-triene hydrate Traditional Name: 4-phenylbicyclo[3.1.0]hexa-1(6),2,4-triene hydrate Formula: C12H10O MolecularWeight: 170.2072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8.H2O/c1-2-4-9(5-3-1)11-7-6-10-8-12(10)11;/h1-8H;1H2