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

Systemtic Name: [(E)-4-(7-heptoxy-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)but-2-enyl]-triphenyl-phosphanium Openeye Name: [(E)-4-(7-heptoxy-4,4-dimethyl-thiochroman-6-yl)but-2-enyl]-triphenyl-phosphonium CAS Name: [(E)-4-(7-heptoxy-4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)but-2-enyl]-triphenylphosphonium IUPAC Name: [(E)-4-(7-heptoxy-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)but-2-enyl]-triphenylphosphanium Traditional Name: [(E)-4-(7-heptoxy-4,4-dimethyl-thiochroman-6-yl)but-2-enyl]-triphenyl-phosphonium Formula: C40H48OPS+ MolecularWeight: 607.847281

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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

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

InChI

InChI=1S/C40H48OPS/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/q+1/b19-17+