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

Systemtic Name: 1-butyl-3-phenylsulfanyl-4,5,6,7-tetrahydro-2-benzofuran Openeye Name: 1-butyl-3-phenylsulfanyl-4,5,6,7-tetrahydroisobenzofuran CAS Name: 1-butyl-3-(phenylthio)-4,5,6,7-tetrahydroisobenzofuran IUPAC Name: 1-butyl-3-phenylsulfanyl-4,5,6,7-tetrahydro-2-benzofuran Traditional Name: 1-butyl-3-(phenylthio)-4,5,6,7-tetrahydroisobenzofuran Formula: C18H22OS MolecularWeight: 286.43168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2CCCCC2=C(O1)SC3=CC=CC=C3

Isomeric SMILES

CCCCC1=C2CCCCC2=C(O1)SC3=CC=CC=C3

InChI

InChI=1S/C18H22OS/c1-2-3-13-17-15-11-7-8-12-16(15)18(19-17)20-14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-13H2,1H3