methyl (1R,2R)-1-(4-tert-butylphenyl)-2-(nitromethyl)butane-1-sulfonate

Systemtic Name: methyl (1R,2R)-1-(4-tert-butylphenyl)-2-(nitromethyl)butane-1-sulfonate Openeye Name: methyl (1R,2R)-1-(4-tert-butylphenyl)-2-(nitromethyl)butane-1-sulfonate CAS Name: (1R,2R)-1-(4-tert-butylphenyl)-2-(nitromethyl)-1-butanesulfonic acid IUPAC Name: methyl (1R,2R)-1-(4-tert-butylphenyl)-2-(nitromethyl)butane-1-sulfonate Traditional Name: (1R,2R)-1-(4-tert-butylphenyl)-2-(nitromethyl)butane-1-sulfonic acid methyl ester Formula: C16H25NO5S MolecularWeight: 343.4384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C[N+](=O)[O-])C(C1=CC=C(C=C1)C(C)(C)C)S(=O)(=O)OC

Isomeric SMILES

CC[C@H](C[N+](=O)[O-])[C@H](C1=CC=C(C=C1)C(C)(C)C)S(=O)(=O)OC

InChI

InChI=1S/C16H25NO5S/c1-6-12(11-17(18)19)15(23(20,21)22-5)13-7-9-14(10-8-13)16(2,3)4/h7-10,12,15H,6,11H2,1-5H3/t12-,15-/m1/s1