sodium 3-(3-methyl-4-phenyl-phenyl)propane-1-sulfonoperoxoic acid

Systemtic Name: sodium 3-(3-methyl-4-phenyl-phenyl)propane-1-sulfonoperoxoic acid Openeye Name: sodium 3-(3-methyl-4-phenyl-phenyl)propane-1-sulfonoperoxoic acid CAS Name: sodium 3-(3-methyl-4-phenylphenyl)-1-propanesulfonoperoxoic acid IUPAC Name: sodium 3-(3-methyl-4-phenylphenyl)propane-1-sulfonoperoxoic acid Traditional Name: sodium 3-(3-methyl-4-phenyl-phenyl)propane-1-sulfonoperoxoic acid Formula: C16H18NaO4S+ MolecularWeight: 329.36649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CCCS(=O)(=O)OO)C2=CC=CC=C2.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)CCCS(=O)(=O)OO)C2=CC=CC=C2.[Na+]

InChI

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