4-[(E)-4-(2,6-diphenylpyran-4-ylidene)pent-2-en-2-yl]-2,6-diphenyl-pyrylium perchlorate

Systemtic Name: 4-[(E)-4-(2,6-diphenylpyran-4-ylidene)pent-2-en-2-yl]-2,6-diphenyl-pyrylium perchlorate Openeye Name: 4-[(E)-3-(2,6-diphenylpyran-4-ylidene)-1-methyl-but-1-enyl]-2,6-diphenyl-pyrylium perchlorate CAS Name: 4-[(E)-4-(2,6-diphenyl-4-pyranylidene)pent-2-en-2-yl]-2,6-diphenylpyrylium perchlorate IUPAC Name: 4-[(E)-4-(2,6-diphenylpyran-4-ylidene)pent-2-en-2-yl]-2,6-diphenylpyrylium perchlorate Traditional Name: 4-[(E)-3-(2,6-diphenylpyran-4-ylidene)-1-methyl-but-1-enyl]-2,6-diphenyl-pyrylium perchlorate Formula: C39H31ClO6 MolecularWeight: 631.11284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=C1C=C(OC(=C1)C2=CC=CC=C2)C3=CC=CC=C3)C)C4=CC(=[O+]C(=C4)C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C/C(=C\C(=C1C=C(OC(=C1)C2=CC=CC=C2)C3=CC=CC=C3)C)/C4=CC(=[O+]C(=C4)C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C39H31O2.ClHO4/c1-28(34-24-36(30-15-7-3-8-16-30)40-37(25-34)31-17-9-4-10-18-31)23-29(2)35-26-38(32-19-11-5-12-20-32)41-39(27-35)33-21-13-6-14-22-33;2-1(3,4)5/h3-27H,1-2H3;(H,2,3,4,5)/q+1;/p-1