(1R)-2-oxidanyl-1-phenyl-ethanesulfonic acid; phenylmethanesulfonic acid

Systemtic Name: (1R)-2-oxidanyl-1-phenyl-ethanesulfonic acid; phenylmethanesulfonic acid Openeye Name: (1R)-2-hydroxy-1-phenyl-ethanesulfonic acid; phenylmethanesulfonic acid CAS Name: (1R)-2-hydroxy-1-phenylethanesulfonic acid; phenylmethanesulfonic acid IUPAC Name: (1R)-2-hydroxy-1-phenylethanesulfonic acid; phenylmethanesulfonic acid Traditional Name: (1R)-2-hydroxy-1-phenyl-ethanesulfonic acid; phenylmethanesulfonic acid Formula: C15H18O7S2 MolecularWeight: 374.42922

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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

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)O.C1=CC=C(C=C1)[C@H](CO)S(=O)(=O)O

InChI

InChI=1S/C8H10O4S.C7H8O3S/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)/t8-;/m0./s1