2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethylsulfanyl]-7-methyl-naphthalene-1,4-dione

Systemtic Name: 2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethylsulfanyl]-7-methyl-naphthalene-1,4-dione Openeye Name: 2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethylsulfanyl]-7-methyl-naphthalene-1,4-dione CAS Name: 2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethylthio]-7-methylnaphthalene-1,4-dione IUPAC Name: 2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethylsulfanyl]-7-methylnaphthalene-1,4-dione Traditional Name: 2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethylthio]-7-methyl-1,4-naphthoquinone Formula: C27H32O3S MolecularWeight: 436.60618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)C=C(C2=O)SCCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)C=C(C2=O)SCCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C27H32O3S/c1-16-8-9-18-19(12-16)24(29)23(15-22(18)28)31-11-10-17-13-20(26(2,3)4)25(30)21(14-17)27(5,6)7/h8-9,12-15,30H,10-11H2,1-7H3