12-[(4-nitrophenyl)methoxycarbonylamino]dodecyl methanesulfonate

Systemtic Name: 12-[(4-nitrophenyl)methoxycarbonylamino]dodecyl methanesulfonate Openeye Name: 12-[(4-nitrophenyl)methoxycarbonylamino]dodecyl methanesulfonate CAS Name: methanesulfonic acid 12-[[(4-nitrophenyl)methoxy-oxomethyl]amino]dodecyl ester IUPAC Name: 12-[(4-nitrophenyl)methoxycarbonylamino]dodecyl methanesulfonate Traditional Name: methanesulfonic acid 12-[(4-nitrobenzyl)oxycarbonylamino]dodecyl ester Formula: C21H34N2O7S MolecularWeight: 458.56886

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCCCCCCCCCCNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OCCCCCCCCCCCCNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C21H34N2O7S/c1-31(27,28)30-17-11-9-7-5-3-2-4-6-8-10-16-22-21(24)29-18-19-12-14-20(15-13-19)23(25)26/h12-15H,2-11,16-18H2,1H3,(H,22,24)