4-[(Z)-[4-(4-methoxyphenyl)thiochromen-2-ylidene]methyl]-2-phenyl-chromenylium perchlorate

Systemtic Name: 4-[(Z)-[4-(4-methoxyphenyl)thiochromen-2-ylidene]methyl]-2-phenyl-chromenylium perchlorate Openeye Name: 4-[(Z)-[4-(4-methoxyphenyl)thiochromen-2-ylidene]methyl]-2-phenyl-chromenylium perchlorate CAS Name: 4-[(Z)-[4-(4-methoxyphenyl)-1-benzothiopyran-2-ylidene]methyl]-2-phenyl-1-benzopyrylium perchlorate IUPAC Name: 4-[(Z)-[4-(4-methoxyphenyl)thiochromen-2-ylidene]methyl]-2-phenylchromenylium perchlorate Traditional Name: 4-[(Z)-[4-(4-methoxyphenyl)thiochromen-2-ylidene]methyl]-2-phenyl-1-benzopyrylium perchlorate Formula: C32H23ClO6S MolecularWeight: 571.03942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=CC3=CC(=[O+]C4=CC=CC=C43)C5=CC=CC=C5)SC6=CC=CC=C62.[O-]Cl(=O)(=O)=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C/C(=C/C3=CC(=[O+]C4=CC=CC=C43)C5=CC=CC=C5)/SC6=CC=CC=C62.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C32H23O2S.ClHO4/c1-33-25-17-15-22(16-18-25)29-21-26(35-32-14-8-6-12-28(29)32)19-24-20-31(23-9-3-2-4-10-23)34-30-13-7-5-11-27(24)30;2-1(3,4)5/h2-21H,1H3;(H,2,3,4,5)/q+1;/p-1/b26-19-;