4-[1-(2,6-diphenylpyran-4-ylidene)-2-phenyl-ethyl]-2,6-diphenyl-pyrylium perchlorate

Systemtic Name: 4-[1-(2,6-diphenylpyran-4-ylidene)-2-phenyl-ethyl]-2,6-diphenyl-pyrylium perchlorate Openeye Name: 4-[1-(2,6-diphenylpyran-4-ylidene)-2-phenyl-ethyl]-2,6-diphenyl-pyrylium perchlorate CAS Name: 4-[1-(2,6-diphenyl-4-pyranylidene)-2-phenylethyl]-2,6-diphenylpyrylium perchlorate IUPAC Name: 4-[1-(2,6-diphenylpyran-4-ylidene)-2-phenylethyl]-2,6-diphenylpyrylium perchlorate Traditional Name: 4-[1-(2,6-diphenylpyran-4-ylidene)-2-phenyl-ethyl]-2,6-diphenyl-pyrylium perchlorate Formula: C42H31ClO6 MolecularWeight: 667.14494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=C2C=C(OC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=[O+]C(=C5)C6=CC=CC=C6)C7=CC=CC=C7.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)CC(=C2C=C(OC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=[O+]C(=C5)C6=CC=CC=C6)C7=CC=CC=C7.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C42H31O2.ClHO4/c1-6-16-31(17-7-1)26-38(36-27-39(32-18-8-2-9-19-32)43-40(28-36)33-20-10-3-11-21-33)37-29-41(34-22-12-4-13-23-34)44-42(30-37)35-24-14-5-15-25-35;2-1(3,4)5/h1-25,27-30H,26H2;(H,2,3,4,5)/q+1;/p-1