5-methoxy-2,2,4,6,7-pentamethyl-3-[4-(phenylsulfanylmethyl)phenyl]-3H-1-benzofuran

Systemtic Name: 5-methoxy-2,2,4,6,7-pentamethyl-3-[4-(phenylsulfanylmethyl)phenyl]-3H-1-benzofuran Openeye Name: 5-methoxy-2,2,4,6,7-pentamethyl-3-[4-(phenylsulfanylmethyl)phenyl]-3H-benzofuran CAS Name: 5-methoxy-2,2,4,6,7-pentamethyl-3-[4-[(phenylthio)methyl]phenyl]-3H-benzofuran IUPAC Name: 5-methoxy-2,2,4,6,7-pentamethyl-3-[4-(phenylsulfanylmethyl)phenyl]-3H-1-benzofuran Traditional Name: 5-methoxy-2,2,4,6,7-pentamethyl-3-[4-[(phenylthio)methyl]phenyl]coumaran Formula: C27H30O2S MolecularWeight: 418.5909

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1C)OC)C)C(C(O2)(C)C)C3=CC=C(C=C3)CSC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C(=C1C)OC)C)C(C(O2)(C)C)C3=CC=C(C=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C27H30O2S/c1-17-18(2)26-23(19(3)25(17)28-6)24(27(4,5)29-26)21-14-12-20(13-15-21)16-30-22-10-8-7-9-11-22/h7-15,24H,16H2,1-6H3