3-phenyl-2-[(Z)-(2-phenylthiochromen-4-ylidene)methyl]chromenylium perchlorate

Systemtic Name: 3-phenyl-2-[(Z)-(2-phenylthiochromen-4-ylidene)methyl]chromenylium perchlorate Openeye Name: 3-phenyl-2-[(Z)-(2-phenylthiochromen-4-ylidene)methyl]chromenylium perchlorate CAS Name: 3-phenyl-2-[(Z)-(2-phenyl-1-benzothiopyran-4-ylidene)methyl]-1-benzopyrylium perchlorate IUPAC Name: 3-phenyl-2-[(Z)-(2-phenylthiochromen-4-ylidene)methyl]chromenylium perchlorate Traditional Name: 3-phenyl-2-[(Z)-(2-phenylthiochromen-4-ylidene)methyl]-1-benzopyrylium perchlorate Formula: C31H21ClO5S MolecularWeight: 541.01344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=CC=CC=C3[O+]=C2C=C4C=C(SC5=CC=CC=C54)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=CC=CC=C3[O+]=C2/C=C\4/C=C(SC5=CC=CC=C54)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C31H21OS.ClHO4/c1-3-11-22(12-4-1)27-19-24-15-7-9-17-28(24)32-29(27)20-25-21-31(23-13-5-2-6-14-23)33-30-18-10-8-16-26(25)30;2-1(3,4)5/h1-21H;(H,2,3,4,5)/q+1;/p-1/b25-20-;