15-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-hexadecane-1-sulfonic acid

Systemtic Name: 15-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-hexadecane-1-sulfonic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-hydroxy-15-methyl-hexadecane-1-sulfonic acid CAS Name: 3-hydroxy-15-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-hexadecanesulfonic acid IUPAC Name: 3-hydroxy-15-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexadecane-1-sulfonic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-hydroxy-15-methyl-hexadecane-1-sulfonic acid Formula: C22H45NO6S MolecularWeight: 451.6608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC(C(CS(=O)(=O)O)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CC(C)CCCCCCCCCCCC(C(CS(=O)(=O)O)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C22H45NO6S/c1-18(2)15-13-11-9-7-6-8-10-12-14-16-20(24)19(17-30(26,27)28)23-21(25)29-22(3,4)5/h18-20,24H,6-17H2,1-5H3,(H,23,25)(H,26,27,28)