sodium [2-(nonanoylamino)oxysulfonylphenyl] hexanoate

Systemtic Name: sodium [2-(nonanoylamino)oxysulfonylphenyl] hexanoate Openeye Name: sodium [2-(nonanoylamino)oxysulfonylphenyl] hexanoate CAS Name: sodium hexanoic acid [2-(1-oxononylamino)oxysulfonylphenyl] ester IUPAC Name: sodium [2-(nonanoylamino)oxysulfonylphenyl] hexanoate Traditional Name: sodium hexanoic acid [2-(pelargonylamino)oxysulfonylphenyl] ester Formula: C21H33NNaO6S+ MolecularWeight: 450.54459

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)NOS(=O)(=O)C1=CC=CC=C1OC(=O)CCCCC.[Na+]

Isomeric SMILES

CCCCCCCCC(=O)NOS(=O)(=O)C1=CC=CC=C1OC(=O)CCCCC.[Na+]

InChI

InChI=1S/C21H33NO6S.Na/c1-3-5-7-8-9-11-16-20(23)22-28-29(25,26)19-15-13-12-14-18(19)27-21(24)17-10-6-4-2;/h12-15H,3-11,16-17H2,1-2H3,(H,22,23);/q;+1