sodium 4-octadecan-2-yl-2,5-bis(oxidanyl)benzenesulfonate

Systemtic Name: sodium 4-octadecan-2-yl-2,5-bis(oxidanyl)benzenesulfonate Openeye Name: sodium 2,5-dihydroxy-4-(1-methylheptadecyl)benzenesulfonate CAS Name: sodium 2,5-dihydroxy-4-octadecan-2-ylbenzenesulfonate IUPAC Name: sodium 2,5-dihydroxy-4-octadecan-2-ylbenzenesulfonate Traditional Name: sodium 2,5-dihydroxy-4-(1-methylheptadecyl)besylate Formula: C24H41NaO5S MolecularWeight: 464.63411

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C24H42O5S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(2)21-18-23(26)24(19-22(21)25)30(27,28)29;/h18-20,25-26H,3-17H2,1-2H3,(H,27,28,29);/q;+1/p-1