disodium 4-[(4-hydroxyphenyl)methyl]phenol sulfate

Systemtic Name: disodium 4-[(4-hydroxyphenyl)methyl]phenol sulfate Openeye Name: disodium 4-[(4-hydroxyphenyl)methyl]phenol sulfate CAS Name: disodium 4-[(4-hydroxyphenyl)methyl]phenol sulfate IUPAC Name: disodium 4-[(4-hydroxyphenyl)methyl]phenol sulfate Traditional Name: disodium 4-(4-hydroxybenzyl)phenol sulfate Formula: C13H12Na2O6S MolecularWeight: 342.27532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=C(C=C2)O)O.[O-]S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=C(C=C2)O)O.[O-]S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C13H12O2.2Na.H2O4S/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;;;1-5(2,3)4/h1-8,14-15H,9H2;;;(H2,1,2,3,4)/q;2*+1;/p-2