2-[(3,5-ditert-butyl-2-oxidanyl-phenyl)methylazaniumyl]ethanesulfonate

Systemtic Name: 2-[(3,5-ditert-butyl-2-oxidanyl-phenyl)methylazaniumyl]ethanesulfonate Openeye Name: 2-[(3,5-ditert-butyl-2-hydroxy-phenyl)methylammonio]ethanesulfonate CAS Name: 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylammonio]ethanesulfonate IUPAC Name: 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylazaniumyl]ethanesulfonate Traditional Name: 2-[(3,5-ditert-butyl-2-hydroxy-benzyl)ammonio]ethanesulfonate Formula: C17H29NO4S MolecularWeight: 343.48146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C[NH2+]CCS(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C[NH2+]CCS(=O)(=O)[O-]

InChI

InChI=1S/C17H29NO4S/c1-16(2,3)13-9-12(11-18-7-8-23(20,21)22)15(19)14(10-13)17(4,5)6/h9-10,18-19H,7-8,11H2,1-6H3,(H,20,21,22)