4-chloranyl-2-hexacosyl-benzenesulfonate

Systemtic Name: 4-chloranyl-2-hexacosyl-benzenesulfonate Openeye Name: 4-chloro-2-hexacosyl-benzenesulfonate CAS Name: 4-chloro-2-hexacosylbenzenesulfonate IUPAC Name: 4-chloro-2-hexacosylbenzenesulfonate Traditional Name: 4-chloro-2-hexacosyl-besylate Formula: C32H56ClO3S- MolecularWeight: 556.30324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1)Cl)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1)Cl)S(=O)(=O)[O-]

InChI

InChI=1S/C32H57ClO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-29-31(33)27-28-32(30)37(34,35)36/h27-29H,2-26H2,1H3,(H,34,35,36)/p-1