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

Systemtic Name: disodium 4-[(4-phenylmethoxyphenyl)methyl]phenol sulfate Openeye Name: disodium 4-[(4-benzyloxyphenyl)methyl]phenol sulfate CAS Name: disodium 4-[(4-phenylmethoxyphenyl)methyl]phenol sulfate IUPAC Name: disodium 4-[(4-phenylmethoxyphenyl)methyl]phenol sulfate Traditional Name: disodium 4-(4-benzoxybenzyl)phenol sulfate Formula: C20H18Na2O6S MolecularWeight: 432.39786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC3=CC=C(C=C3)O.[O-]S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC3=CC=C(C=C3)O.[O-]S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H18O2.2Na.H2O4S/c21-19-10-6-16(7-11-19)14-17-8-12-20(13-9-17)22-15-18-4-2-1-3-5-18;;;1-5(2,3)4/h1-13,21H,14-15H2;;;(H2,1,2,3,4)/q;2*+1;/p-2