(E)-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)but-3-enoic acid; (sulfinoamino)ethane

Systemtic Name: (E)-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)but-3-enoic acid; (sulfinoamino)ethane Openeye Name: (E)-4-(3,5-ditert-butyl-4-hydroxy-phenyl)but-3-enoic acid; (sulfinoamino)ethane CAS Name: (E)-4-(3,5-ditert-butyl-4-hydroxyphenyl)-3-butenoic acid; (sulfinoamino)ethane IUPAC Name: (E)-4-(3,5-ditert-butyl-4-hydroxyphenyl)but-3-enoic acid; (sulfinoamino)ethane Traditional Name: (E)-4-(3,5-ditert-butyl-4-hydroxy-phenyl)but-3-enoic acid; (sulfinoamino)ethane Formula: C20H33NO5S MolecularWeight: 399.54472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)O.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=CCC(=O)O

Isomeric SMILES

CCNS(=O)O.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/CC(=O)O

InChI

InChI=1S/C18H26O3.C2H7NO2S/c1-17(2,3)13-10-12(8-7-9-15(19)20)11-14(16(13)21)18(4,5)6;1-2-3-6(4)5/h7-8,10-11,21H,9H2,1-6H3,(H,19,20);3H,2H2,1H3,(H,4,5)/b8-7+;