tripotassium 4-(3-phenoxyphenyl)-1-phosphonato-butane-1-sulfinate

Systemtic Name: tripotassium 4-(3-phenoxyphenyl)-1-phosphonato-butane-1-sulfinate Openeye Name: tripotassium 4-(3-phenoxyphenyl)-1-phosphonato-butane-1-sulfinate CAS Name: tripotassium 4-(3-phenoxyphenyl)-1-phosphonato-1-butanesulfinate IUPAC Name: tripotassium 4-(3-phenoxyphenyl)-1-phosphonatobutane-1-sulfinate Traditional Name: tripotassium 4-(3-phenoxyphenyl)-1-phosphonato-butane-1-sulfinate Formula: C16H16K3O6PS MolecularWeight: 484.628301

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)CCCC(P(=O)([O-])[O-])S(=O)[O-].[K+].[K+].[K+]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)CCCC(P(=O)([O-])[O-])S(=O)[O-].[K+].[K+].[K+]

InChI

InChI=1S/C16H19O6PS.3K/c17-23(18,19)16(24(20)21)11-5-7-13-6-4-10-15(12-13)22-14-8-2-1-3-9-14;;;/h1-4,6,8-10,12,16H,5,7,11H2,(H,20,21)(H2,17,18,19);;;/q;3*+1/p-3