4-(8-methyl-2H-1,3-benzothiazin-3-ium-3-yl)-2,6-diphenyl-phenol

Systemtic Name: 4-(8-methyl-2H-1,3-benzothiazin-3-ium-3-yl)-2,6-diphenyl-phenol Openeye Name: 4-(8-methyl-2H-1,3-benzothiazin-3-ium-3-yl)-2,6-diphenyl-phenol CAS Name: 4-(8-methyl-2H-1,3-benzothiazin-3-ium-3-yl)-2,6-diphenylphenol IUPAC Name: 4-(8-methyl-2H-1,3-benzothiazin-3-ium-3-yl)-2,6-diphenylphenol Traditional Name: 4-(8-methyl-2H-1,3-benzothiazin-3-ium-3-yl)-2,6-diphenyl-phenol Formula: C27H22NOS+ MolecularWeight: 408.53468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1SC[N+](=C2)C3=CC(=C(C(=C3)C4=CC=CC=C4)O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC2=C1SC[N+](=C2)C3=CC(=C(C(=C3)C4=CC=CC=C4)O)C5=CC=CC=C5

InChI

InChI=1S/C27H21NOS/c1-19-9-8-14-22-17-28(18-30-27(19)22)23-15-24(20-10-4-2-5-11-20)26(29)25(16-23)21-12-6-3-7-13-21/h2-17H,18H2,1H3/p+1