dipotassium 1-[oxidanidyl(oxidanyl)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonate

Systemtic Name: dipotassium 1-[oxidanidyl(oxidanyl)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonate Openeye Name: dipotassium 1-[hydroxy(oxido)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonate CAS Name: dipotassium 1-[hydroxy(oxido)phosphoryl]-4-(3-phenoxyphenyl)-1-butanesulfonate IUPAC Name: dipotassium 1-[hydroxy(oxido)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonate Traditional Name: dipotassium 1-[hydroxy(oxido)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonate Formula: C16H17K2O7PS MolecularWeight: 462.537341

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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)[O-].[K+].[K+]

Isomeric SMILES

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

InChI

InChI=1S/C16H19O7PS.2K/c17-24(18,19)16(25(20,21)22)11-5-7-13-6-4-10-15(12-13)23-14-8-2-1-3-9-14;;/h1-4,6,8-10,12,16H,5,7,11H2,(H2,17,18,19)(H,20,21,22);;/q;2*+1/p-2