2-(4-phenyl-5,6-dihydrobenzo[h]chromen-1-ium-2-yl)-1,3-benzothiazole perchlorate

Systemtic Name: 2-(4-phenyl-5,6-dihydrobenzo[h]chromen-1-ium-2-yl)-1,3-benzothiazole perchlorate Openeye Name: 2-(4-phenyl-5,6-dihydrobenzo[h]chromen-1-ium-2-yl)-1,3-benzothiazole perchlorate CAS Name: 2-(4-phenyl-5,6-dihydrobenzo[h][1]benzopyran-1-ium-2-yl)-1,3-benzothiazole perchlorate IUPAC Name: 2-(4-phenyl-5,6-dihydrobenzo[h]chromen-1-ium-2-yl)-1,3-benzothiazole perchlorate Traditional Name: 2-(4-phenyl-5,6-dihydrobenzo[h]chromen-1-ium-2-yl)-1,3-benzothiazole perchlorate Formula: C26H18ClNO5S MolecularWeight: 491.94282

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)[O+]=C(C=C2C4=CC=CC=C4)C5=NC6=CC=CC=C6S5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)[O+]=C(C=C2C4=CC=CC=C4)C5=NC6=CC=CC=C6S5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C26H18NOS.ClHO4/c1-2-8-17(9-3-1)21-16-23(26-27-22-12-6-7-13-24(22)29-26)28-25-19-11-5-4-10-18(19)14-15-20(21)25;2-1(3,4)5/h1-13,16H,14-15H2;(H,2,3,4,5)/q+1;/p-1