disodium; 2-oxidanyl-1-phenyl-ethanesulfonate; phenylmethanesulfonate

Systemtic Name: disodium; 2-oxidanyl-1-phenyl-ethanesulfonate; phenylmethanesulfonate Openeye Name: disodium; 2-hydroxy-1-phenyl-ethanesulfonate; phenylmethanesulfonate CAS Name: disodium; 2-hydroxy-1-phenylethanesulfonate; phenylmethanesulfonate IUPAC Name: disodium; 2-hydroxy-1-phenylethanesulfonate; phenylmethanesulfonate Traditional Name: disodium; 2-hydroxy-1-phenyl-ethanesulfonate; phenylmethanesulfonate Formula: C15H16Na2O7S2 MolecularWeight: 418.39288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10O4S.C7H8O3S.2Na/c9-6-8(13(10,11)12)7-4-2-1-3-5-7;8-11(9,10)6-7-4-2-1-3-5-7;;/h1-5,8-9H,6H2,(H,10,11,12);1-5H,6H2,(H,8,9,10);;/q;;2*+1/p-2