4-[(2,6-diphenylpyran-4-ylidene)-thiophen-2-yl-methyl]-2,6-diphenyl-pyrylium

Systemtic Name: 4-[(2,6-diphenylpyran-4-ylidene)-thiophen-2-yl-methyl]-2,6-diphenyl-pyrylium Openeye Name: 4-[(2,6-diphenylpyran-4-ylidene)-(2-thienyl)methyl]-2,6-diphenyl-pyrylium CAS Name: 4-[(2,6-diphenyl-4-pyranylidene)-thiophen-2-ylmethyl]-2,6-diphenylpyrylium IUPAC Name: 4-[(2,6-diphenylpyran-4-ylidene)-thiophen-2-ylmethyl]-2,6-diphenylpyrylium Traditional Name: 4-[(2,6-diphenylpyran-4-ylidene)-(2-thienyl)methyl]-2,6-diphenyl-pyrylium Formula: C39H27O2S+ MolecularWeight: 559.69548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(C3=CC=CS3)C4=CC(=[O+]C(=C4)C5=CC=CC=C5)C6=CC=CC=C6)C=C(O2)C7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(C3=CC=CS3)C4=CC(=[O+]C(=C4)C5=CC=CC=C5)C6=CC=CC=C6)C=C(O2)C7=CC=CC=C7

InChI

InChI=1S/C39H27O2S/c1-5-14-28(15-6-1)34-24-32(25-35(40-34)29-16-7-2-8-17-29)39(38-22-13-23-42-38)33-26-36(30-18-9-3-10-19-30)41-37(27-33)31-20-11-4-12-21-31/h1-27H/q+1