7-tert-butyl-3-oxidanyl-5-phenylsulfanyl-3H-1-benzofuran-2-one

Systemtic Name: 7-tert-butyl-3-oxidanyl-5-phenylsulfanyl-3H-1-benzofuran-2-one Openeye Name: 7-tert-butyl-3-hydroxy-5-phenylsulfanyl-3H-benzofuran-2-one CAS Name: 7-tert-butyl-3-hydroxy-5-(phenylthio)-3H-benzofuran-2-one IUPAC Name: 7-tert-butyl-3-hydroxy-5-phenylsulfanyl-3H-1-benzofuran-2-one Traditional Name: 7-tert-butyl-3-hydroxy-5-(phenylthio)coumaran-2-one Formula: C18H18O3S MolecularWeight: 314.39872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C(=CC(=C1)SC3=CC=CC=C3)C(C(=O)O2)O

Isomeric SMILES

CC(C)(C)C1=C2C(=CC(=C1)SC3=CC=CC=C3)C(C(=O)O2)O

InChI

InChI=1S/C18H18O3S/c1-18(2,3)14-10-12(22-11-7-5-4-6-8-11)9-13-15(19)17(20)21-16(13)14/h4-10,15,19H,1-3H3