[1-(3,4-dihydro-2H-thiochromen-2-yl)-2,4,4-trimethyl-cyclohexa-2,5-dien-1-yl]-diphenyl-phosphanium bromide

Systemtic Name: [1-(3,4-dihydro-2H-thiochromen-2-yl)-2,4,4-trimethyl-cyclohexa-2,5-dien-1-yl]-diphenyl-phosphanium bromide Openeye Name: diphenyl-(2,4,4-trimethyl-1-thiochroman-2-yl-cyclohexa-2,5-dien-1-yl)phosphonium bromide CAS Name: [1-(3,4-dihydro-2H-1-benzothiopyran-2-yl)-2,4,4-trimethyl-1-cyclohexa-2,5-dienyl]-diphenylphosphonium bromide IUPAC Name: [1-(3,4-dihydro-2H-thiochromen-2-yl)-2,4,4-trimethylcyclohexa-2,5-dien-1-yl]-diphenylphosphanium bromide Traditional Name: diphenyl-(2,4,4-trimethyl-1-thiochroman-2-yl-cyclohexa-2,5-dien-1-yl)phosphonium bromide Formula: C30H32BrPS MolecularWeight: 535.517841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C=CC1(C2CCC3=CC=CC=C3S2)[PH+](C4=CC=CC=C4)C5=CC=CC=C5)(C)C.[Br-]

Isomeric SMILES

CC1=CC(C=CC1(C2CCC3=CC=CC=C3S2)[PH+](C4=CC=CC=C4)C5=CC=CC=C5)(C)C.[Br-]

InChI

InChI=1S/C30H31PS.BrH/c1-23-22-29(2,3)20-21-30(23,28-19-18-24-12-10-11-17-27(24)32-28)31(25-13-6-4-7-14-25)26-15-8-5-9-16-26;/h4-17,20-22,28H,18-19H2,1-3H3;1H