[3-[(E)-3-oxidanylidenebut-1-enyl]-1-(phenylsulfonyl)indol-2-yl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [3-[(E)-3-oxidanylidenebut-1-enyl]-1-(phenylsulfonyl)indol-2-yl]methyl-triphenyl-phosphanium bromide Openeye Name: [1-(benzenesulfonyl)-3-[(E)-3-oxobut-1-enyl]indol-2-yl]methyl-triphenyl-phosphonium bromide CAS Name: [1-(benzenesulfonyl)-3-[(E)-3-oxobut-1-enyl]-2-indolyl]methyl-triphenylphosphonium bromide IUPAC Name: [1-(benzenesulfonyl)-3-[(E)-3-oxobut-1-enyl]indol-2-yl]methyl-triphenylphosphanium bromide Traditional Name: [1-besyl-3-[(E)-3-ketobut-1-enyl]indol-2-yl]methyl-triphenyl-phosphonium bromide Formula: C37H31BrNO3PS MolecularWeight: 680.589701

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=C(N(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

Isomeric SMILES

CC(=O)/C=C/C1=C(N(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

InChI

InChI=1S/C37H31NO3PS.BrH/c1-29(39)26-27-35-34-24-14-15-25-36(34)38(43(40,41)33-22-12-5-13-23-33)37(35)28-42(30-16-6-2-7-17-30,31-18-8-3-9-19-31)32-20-10-4-11-21-32;/h2-27H,28H2,1H3;1H/q+1;/p-1/b27-26+;