[(E)-4-(7-heptoxy-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)but-2-enyl]-triphenyl-phosphanium bromide

Systemtic Name: [(E)-4-(7-heptoxy-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)but-2-enyl]-triphenyl-phosphanium bromide Openeye Name: [(E)-4-(7-heptoxy-4,4-dimethyl-thiochroman-6-yl)but-2-enyl]-triphenyl-phosphonium bromide CAS Name: [(E)-4-(7-heptoxy-4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)but-2-enyl]-triphenylphosphonium bromide IUPAC Name: [(E)-4-(7-heptoxy-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)but-2-enyl]-triphenylphosphanium bromide Traditional Name: [(E)-4-(7-heptoxy-4,4-dimethyl-thiochroman-6-yl)but-2-enyl]-triphenyl-phosphonium bromide Formula: C40H48BrOPS MolecularWeight: 687.751281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C2C(=C1)SCCC2(C)C)CC=CC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CCCCCCCOC1=C(C=C2C(=C1)SCCC2(C)C)C/C=C/C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C40H48OPS.BrH/c1-4-5-6-7-18-28-41-38-32-39-37(40(2,3)27-30-43-39)31-33(38)20-17-19-29-42(34-21-11-8-12-22-34,35-23-13-9-14-24-35)36-25-15-10-16-26-36;/h8-17,19,21-26,31-32H,4-7,18,20,27-30H2,1-3H3;1H/q+1;/p-1/b19-17+;