tripotassium 4-[3-(2-methylphenoxy)phenyl]-1-phosphonato-butane-1-sulfonate

Systemtic Name: tripotassium 4-[3-(2-methylphenoxy)phenyl]-1-phosphonato-butane-1-sulfonate Openeye Name: tripotassium 4-[3-(2-methylphenoxy)phenyl]-1-phosphonato-butane-1-sulfonate CAS Name: tripotassium 4-[3-(2-methylphenoxy)phenyl]-1-phosphonato-1-butanesulfonate IUPAC Name: tripotassium 4-[3-(2-methylphenoxy)phenyl]-1-phosphonatobutane-1-sulfonate Traditional Name: tripotassium 4-[3-(2-methylphenoxy)phenyl]-1-phosphonato-butane-1-sulfonate Formula: C17H18K3O7PS MolecularWeight: 514.654281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=CC=CC(=C2)CCCC(P(=O)([O-])[O-])S(=O)(=O)[O-].[K+].[K+].[K+]

Isomeric SMILES

CC1=CC=CC=C1OC2=CC=CC(=C2)CCCC(P(=O)([O-])[O-])S(=O)(=O)[O-].[K+].[K+].[K+]

InChI

InChI=1S/C17H21O7PS.3K/c1-13-6-2-3-10-16(13)24-15-9-4-7-14(12-15)8-5-11-17(25(18,19)20)26(21,22)23;;;/h2-4,6-7,9-10,12,17H,5,8,11H2,1H3,(H2,18,19,20)(H,21,22,23);;;/q;3*+1/p-3