4-methyl-3,6-bis(2,4,6-triphenylphenyl)-2H-1,3-thiazin-3-ium

Systemtic Name: 4-methyl-3,6-bis(2,4,6-triphenylphenyl)-2H-1,3-thiazin-3-ium Openeye Name: 4-methyl-3,6-bis(2,4,6-triphenylphenyl)-2H-1,3-thiazin-3-ium CAS Name: 4-methyl-3,6-bis(2,4,6-triphenylphenyl)-2H-1,3-thiazin-3-ium IUPAC Name: 4-methyl-3,6-bis(2,4,6-triphenylphenyl)-2H-1,3-thiazin-3-ium Traditional Name: 4-methyl-3,6-bis(2,4,6-triphenylphenyl)-2H-1,3-thiazin-3-ium Formula: C53H40NS+ MolecularWeight: 722.9564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](CSC(=C1)C2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=C(C=C(C=C6C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

CC1=[N+](CSC(=C1)C2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=C(C=C(C=C6C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C53H40NS/c1-38-32-51(52-47(41-24-12-4-13-25-41)33-45(39-20-8-2-9-21-39)34-48(52)42-26-14-5-15-27-42)55-37-54(38)53-49(43-28-16-6-17-29-43)35-46(40-22-10-3-11-23-40)36-50(53)44-30-18-7-19-31-44/h2-36H,37H2,1H3/q+1