2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethylsulfanyl]-8-methyl-naphthalene-1,4-dione

Systemtic Name: 2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethylsulfanyl]-8-methyl-naphthalene-1,4-dione Openeye Name: 2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethylsulfanyl]-8-methyl-naphthalene-1,4-dione CAS Name: 2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethylthio]-8-methylnaphthalene-1,4-dione IUPAC Name: 2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethylsulfanyl]-8-methylnaphthalene-1,4-dione Traditional Name: 2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethylthio]-8-methyl-1,4-naphthoquinone Formula: C27H32O3S MolecularWeight: 436.60618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(=O)C(=CC2=O)SCCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC1=CC=CC2=C1C(=O)C(=CC2=O)SCCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

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