(4E)-4-(3-phenylprop-2-ynylidene)-2,3,9,9a-tetrahydro-1H-xanthen-10-ium

Systemtic Name: (4E)-4-(3-phenylprop-2-ynylidene)-2,3,9,9a-tetrahydro-1H-xanthen-10-ium Openeye Name: (4E)-4-(3-phenylprop-2-ynylidene)-2,3,9,9a-tetrahydro-1H-xanthen-10-ium CAS Name: (4E)-4-(3-phenylprop-2-ynylidene)-2,3,9,9a-tetrahydro-1H-xanthen-10-ium IUPAC Name: (4E)-4-(3-phenylprop-2-ynylidene)-2,3,9,9a-tetrahydro-1H-xanthen-10-ium Traditional Name: (4E)-4-(3-phenylprop-2-ynylidene)-2,3,9,9a-tetrahydro-1H-xanthen-10-ium Formula: C22H19O+ MolecularWeight: 299.38566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC3=CC=CC=C3[O+]=C2C(=CC#CC4=CC=CC=C4)C1

Isomeric SMILES

C1CC2CC3=CC=CC=C3[O+]=C2/C(=C/C#CC4=CC=CC=C4)/C1

InChI

InChI=1S/C22H19O/c1-2-8-17(9-3-1)10-6-12-18-13-7-14-20-16-19-11-4-5-15-21(19)23-22(18)20/h1-5,8-9,11-12,15,20H,7,13-14,16H2/q+1/b18-12+