octadecyl 4-nitrobenzenesulfonate

Systemtic Name: octadecyl 4-nitrobenzenesulfonate Openeye Name: octadecyl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid octadecyl ester IUPAC Name: octadecyl 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid stearyl ester Formula: C24H41NO5S MolecularWeight: 455.65104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C24H41NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-30-31(28,29)24-20-18-23(19-21-24)25(26)27/h18-21H,2-17,22H2,1H3