sodium 4-icosylbenzenesulfonate

Systemtic Name: sodium 4-icosylbenzenesulfonate Openeye Name: sodium 4-icosylbenzenesulfonate CAS Name: sodium 4-eicosylbenzenesulfonate IUPAC Name: sodium 4-icosylbenzenesulfonate Traditional Name: sodium 4-arachylbesylate Formula: C26H45NaO3S MolecularWeight: 460.68847

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C26H46O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21-23-26(24-22-25)30(27,28)29;/h21-24H,2-20H2,1H3,(H,27,28,29);/q;+1/p-1