5-ethanoyl-2-hexadecoxy-benzenesulfonate

Systemtic Name: 5-ethanoyl-2-hexadecoxy-benzenesulfonate Openeye Name: 5-acetyl-2-hexadecoxy-benzenesulfonate CAS Name: 5-acetyl-2-hexadecoxybenzenesulfonate IUPAC Name: 5-acetyl-2-hexadecoxybenzenesulfonate Traditional Name: 5-acetyl-2-cetyloxy-besylate Formula: C24H39O5S- MolecularWeight: 439.62846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C)S(=O)(=O)[O-]

InChI

InChI=1S/C24H40O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29-23-18-17-22(21(2)25)20-24(23)30(26,27)28/h17-18,20H,3-16,19H2,1-2H3,(H,26,27,28)/p-1