2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-(4-ethylphenyl)sulfanyl-naphthalene-1,4-dione

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-(4-ethylphenyl)sulfanyl-naphthalene-1,4-dione Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-(4-ethylphenyl)sulfanyl-naphthalene-1,4-dione CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-[(4-ethylphenyl)thio]naphthalene-1,4-dione IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(4-ethylphenyl)sulfanylnaphthalene-1,4-dione Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-[(4-ethylphenyl)thio]-1,4-naphthoquinone Formula: C32H34O3S MolecularWeight: 498.67556

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SC2=C(C(=O)C3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)SC2=C(C(=O)C3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C32H34O3S/c1-8-19-13-15-21(16-14-19)36-30-26(27(33)22-11-9-10-12-23(22)28(30)34)20-17-24(31(2,3)4)29(35)25(18-20)32(5,6)7/h9-18,35H,8H2,1-7H3