(2S,4S)-2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2S,4S)-2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4S)-2-(3,5-ditert-butyl-4-hydroxy-phenyl)thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4S)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4S)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4S)-2-(3,5-ditert-butyl-4-hydroxy-phenyl)thiazolidin-3-ium-4-carboxylate Formula: C18H27NO3S MolecularWeight: 337.47688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2[NH2+]C(CS2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[C@H]2[NH2+][C@H](CS2)C(=O)[O-]

InChI

InChI=1S/C18H27NO3S/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)15-19-13(9-23-15)16(21)22/h7-8,13,15,19-20H,9H2,1-6H3,(H,21,22)/t13-,15+/m1/s1