6-[(E)-1-bromanylbut-2-enyl]-7-heptoxy-4,4-dimethyl-2,3-dihydrothiochromene; triphenylphosphanium

Systemtic Name: 6-[(E)-1-bromanylbut-2-enyl]-7-heptoxy-4,4-dimethyl-2,3-dihydrothiochromene; triphenylphosphanium Openeye Name: 6-[(E)-1-bromobut-2-enyl]-7-heptoxy-4,4-dimethyl-thiochromane; triphenylphosphonium CAS Name: 6-[(E)-1-bromobut-2-enyl]-7-heptoxy-4,4-dimethyl-2,3-dihydro-1-benzothiopyran; triphenylphosphonium IUPAC Name: 6-[(E)-1-bromobut-2-enyl]-7-heptoxy-4,4-dimethyl-2,3-dihydrothiochromene; triphenylphosphanium Traditional Name: 6-[(E)-1-bromobut-2-enyl]-7-heptoxy-4,4-dimethyl-thiochroman; triphenylphosphonium Formula: C40H49BrOPS+ MolecularWeight: 688.759221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C2C(=C1)SCCC2(C)C)C(C=CC)Br.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=C(C=C2C(=C1)SCCC2(C)C)C(/C=C/C)Br.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H33BrOS.C18H15P/c1-5-7-8-9-10-13-24-20-16-21-18(22(3,4)12-14-25-21)15-17(20)19(23)11-6-2;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h6,11,15-16,19H,5,7-10,12-14H2,1-4H3;1-15H/p+1/b11-6+;