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

Systemtic Name: (4E)-4-(3-phenylprop-2-ynylidene)-2,3,9,9a-tetrahydro-1H-xanthen-10-ium perchlorate Openeye Name: (4E)-4-(3-phenylprop-2-ynylidene)-2,3,9,9a-tetrahydro-1H-xanthen-10-ium perchlorate CAS Name: (4E)-4-(3-phenylprop-2-ynylidene)-2,3,9,9a-tetrahydro-1H-xanthen-10-ium perchlorate IUPAC Name: (4E)-4-(3-phenylprop-2-ynylidene)-2,3,9,9a-tetrahydro-1H-xanthen-10-ium perchlorate Traditional Name: (4E)-4-(3-phenylprop-2-ynylidene)-2,3,9,9a-tetrahydro-1H-xanthen-10-ium perchlorate Formula: C22H19ClO5 MolecularWeight: 398.83626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19O.ClHO4/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;2-1(3,4)5/h1-5,8-9,11-12,15,20H,7,13-14,16H2;(H,2,3,4,5)/q+1;/p-1/b18-12+;