1-heptyl-3-phenylsulfanyl-4,5,6,7-tetrahydro-2-benzofuran

Systemtic Name: 1-heptyl-3-phenylsulfanyl-4,5,6,7-tetrahydro-2-benzofuran Openeye Name: 1-heptyl-3-phenylsulfanyl-4,5,6,7-tetrahydroisobenzofuran CAS Name: 1-heptyl-3-(phenylthio)-4,5,6,7-tetrahydroisobenzofuran IUPAC Name: 1-heptyl-3-phenylsulfanyl-4,5,6,7-tetrahydro-2-benzofuran Traditional Name: 1-heptyl-3-(phenylthio)-4,5,6,7-tetrahydroisobenzofuran Formula: C21H28OS MolecularWeight: 328.51142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C2CCCCC2=C(O1)SC3=CC=CC=C3

Isomeric SMILES

CCCCCCCC1=C2CCCCC2=C(O1)SC3=CC=CC=C3

InChI

InChI=1S/C21H28OS/c1-2-3-4-5-9-16-20-18-14-10-11-15-19(18)21(22-20)23-17-12-7-6-8-13-17/h6-8,12-13H,2-5,9-11,14-16H2,1H3