(E)-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylbut-2-enoic acid

Systemtic Name: (E)-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylbut-2-enoic acid Openeye Name: (E)-4-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylbut-2-enoic acid CAS Name: (E)-4-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-2-butenoic acid IUPAC Name: (E)-4-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylbut-2-enoic acid Traditional Name: (E)-4-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]but-2-enoic acid Formula: C18H26O3S MolecularWeight: 322.46224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC=CC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC/C=C/C(=O)O

InChI

InChI=1S/C18H26O3S/c1-17(2,3)13-10-12(22-9-7-8-15(19)20)11-14(16(13)21)18(4,5)6/h7-8,10-11,21H,9H2,1-6H3,(H,19,20)/b8-7+