(2-nitrophenyl)methyl 4-dodecylbenzenesulfonate

Systemtic Name: (2-nitrophenyl)methyl 4-dodecylbenzenesulfonate Openeye Name: (2-nitrophenyl)methyl 4-dodecylbenzenesulfonate CAS Name: 4-dodecylbenzenesulfonic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4-dodecylbenzenesulfonate Traditional Name: 4-laurylbenzenesulfonic acid (2-nitrobenzyl) ester Formula: C25H35NO5S MolecularWeight: 461.6141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C25H35NO5S/c1-2-3-4-5-6-7-8-9-10-11-14-22-17-19-24(20-18-22)32(29,30)31-21-23-15-12-13-16-25(23)26(27)28/h12-13,15-20H,2-11,14,21H2,1H3