8-[(2E)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]octanoic acid

Systemtic Name: 8-[(2E)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]octanoic acid Openeye Name: 8-[(2E)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-3-oxo-1,4-benzothiazin-4-yl]octanoic acid CAS Name: 8-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]octanoic acid IUPAC Name: 8-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]octanoic acid Traditional Name: 8-[(2E)-2-(3,5-ditert-butyl-4-hydroxy-benzylidene)-3-keto-1,4-benzothiazin-4-yl]caprylic acid Formula: C31H41NO4S MolecularWeight: 523.72654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)N(C3=CC=CC=C3S2)CCCCCCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/2\C(=O)N(C3=CC=CC=C3S2)CCCCCCCC(=O)O

InChI

InChI=1S/C31H41NO4S/c1-30(2,3)22-18-21(19-23(28(22)35)31(4,5)6)20-26-29(36)32(24-14-11-12-15-25(24)37-26)17-13-9-7-8-10-16-27(33)34/h11-12,14-15,18-20,35H,7-10,13,16-17H2,1-6H3,(H,33,34)/b26-20+