4-[(E)-3-(2,6-diphenylpyran-4-ylidene)-2-methyl-prop-1-enyl]-2,6-diphenyl-pyrylium perchlorate

Systemtic Name: 4-[(E)-3-(2,6-diphenylpyran-4-ylidene)-2-methyl-prop-1-enyl]-2,6-diphenyl-pyrylium perchlorate Openeye Name: 4-[(E)-3-(2,6-diphenylpyran-4-ylidene)-2-methyl-prop-1-enyl]-2,6-diphenyl-pyrylium perchlorate CAS Name: 4-[(E)-3-(2,6-diphenyl-4-pyranylidene)-2-methylprop-1-enyl]-2,6-diphenylpyrylium perchlorate IUPAC Name: 4-[(E)-3-(2,6-diphenylpyran-4-ylidene)-2-methylprop-1-enyl]-2,6-diphenylpyrylium perchlorate Traditional Name: 4-[(E)-3-(2,6-diphenylpyran-4-ylidene)-2-methyl-prop-1-enyl]-2,6-diphenyl-pyrylium perchlorate Formula: C38H29ClO6 MolecularWeight: 617.08626

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=[O+]C(=C1)C2=CC=CC=C2)C3=CC=CC=C3)C=C4C=C(OC(=C4)C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C/C(=C\C1=CC(=[O+]C(=C1)C2=CC=CC=C2)C3=CC=CC=C3)/C=C4C=C(OC(=C4)C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C38H29O2.ClHO4/c1-28(22-29-24-35(31-14-6-2-7-15-31)39-36(25-29)32-16-8-3-9-17-32)23-30-26-37(33-18-10-4-11-19-33)40-38(27-30)34-20-12-5-13-21-34;2-1(3,4)5/h2-27H,1H3;(H,2,3,4,5)/q+1;/p-1