2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-ethylsulfanyl-6-methyl-naphthalene-1,4-dione

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-ethylsulfanyl-6-methyl-naphthalene-1,4-dione Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-ethylsulfanyl-6-methyl-naphthalene-1,4-dione CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(ethylthio)-6-methylnaphthalene-1,4-dione IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-ethylsulfanyl-6-methylnaphthalene-1,4-dione Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-(ethylthio)-6-methyl-1,4-naphthoquinone Formula: C27H32O3S MolecularWeight: 436.60618

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=O)C2=C(C1=O)C=C(C=C2)C)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCSC1=C(C(=O)C2=C(C1=O)C=C(C=C2)C)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C27H32O3S/c1-9-31-25-21(22(28)17-11-10-15(2)12-18(17)23(25)29)16-13-19(26(3,4)5)24(30)20(14-16)27(6,7)8/h10-14,30H,9H2,1-8H3