sodium 3-(3-methyl-4-phenyl-phenyl)-1-oxidanyl-propane-1-sulfonate

Systemtic Name: sodium 3-(3-methyl-4-phenyl-phenyl)-1-oxidanyl-propane-1-sulfonate Openeye Name: sodium 1-hydroxy-3-(3-methyl-4-phenyl-phenyl)propane-1-sulfonate CAS Name: sodium 1-hydroxy-3-(3-methyl-4-phenylphenyl)-1-propanesulfonate IUPAC Name: sodium 1-hydroxy-3-(3-methyl-4-phenylphenyl)propane-1-sulfonate Traditional Name: sodium 1-hydroxy-3-(3-methyl-4-phenyl-phenyl)propane-1-sulfonate Formula: C16H17NaO4S MolecularWeight: 328.35855

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CCC(O)S(=O)(=O)[O-])C2=CC=CC=C2.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)CCC(O)S(=O)(=O)[O-])C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C16H18O4S.Na/c1-12-11-13(8-10-16(17)21(18,19)20)7-9-15(12)14-5-3-2-4-6-14;/h2-7,9,11,16-17H,8,10H2,1H3,(H,18,19,20);/q;+1/p-1