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

Systemtic Name: 4-[(Z)-4-(2,6-diphenylpyran-4-ylidene)but-2-en-2-yl]-2,6-diphenyl-pyrylium perchlorate Openeye Name: 4-[(Z)-3-(2,6-diphenylpyran-4-ylidene)-1-methyl-prop-1-enyl]-2,6-diphenyl-pyrylium perchlorate CAS Name: 4-[(Z)-4-(2,6-diphenyl-4-pyranylidene)but-2-en-2-yl]-2,6-diphenylpyrylium perchlorate IUPAC Name: 4-[(Z)-4-(2,6-diphenylpyran-4-ylidene)but-2-en-2-yl]-2,6-diphenylpyrylium perchlorate Traditional Name: 4-[(Z)-3-(2,6-diphenylpyran-4-ylidene)-1-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(=CC=C1C=C(OC(=C1)C2=CC=CC=C2)C3=CC=CC=C3)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)/C4=CC(=[O+]C(=C4)C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

InChI

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