2-hexadecylsulfonyl-5-sulfonato-benzoate

Systemtic Name: 2-hexadecylsulfonyl-5-sulfonato-benzoate Openeye Name: 2-hexadecylsulfonyl-5-sulfonato-benzoate CAS Name: 2-hexadecylsulfonyl-5-sulfonatobenzoate IUPAC Name: 2-hexadecylsulfonyl-5-sulfonatobenzoate Traditional Name: 2-cetylsulfonyl-5-sulfonato-benzoate Formula: C23H36O7S2-2 MolecularWeight: 488.65774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38O7S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-31(26,27)22-17-16-20(32(28,29)30)19-21(22)23(24)25/h16-17,19H,2-15,18H2,1H3,(H,24,25)(H,28,29,30)/p-2