sodium phenylmethanesulfonate

Systemtic Name: sodium phenylmethanesulfonate Openeye Name: sodium phenylmethanesulfonate CAS Name: sodium phenylmethanesulfonate IUPAC Name: sodium phenylmethanesulfonate Traditional Name: sodium phenylmethanesulfonate Formula: C21H21NaO9S3-2 MolecularWeight: 536.57081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C7H8O3S.Na/c3*8-11(9,10)6-7-4-2-1-3-5-7;/h3*1-5H,6H2,(H,8,9,10);/q;;;+1/p-3