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

Systemtic Name: tripotassium 4-[3-[2-(3-methylbutyl)phenoxy]phenyl]-1-phosphonato-butane-1-sulfonate Openeye Name: tripotassium 4-[3-(2-isopentylphenoxy)phenyl]-1-phosphonato-butane-1-sulfonate CAS Name: tripotassium 4-[3-[2-(3-methylbutyl)phenoxy]phenyl]-1-phosphonato-1-butanesulfonate IUPAC Name: tripotassium 4-[3-[2-(3-methylbutyl)phenoxy]phenyl]-1-phosphonatobutane-1-sulfonate Traditional Name: tripotassium 4-[3-(2-isoamylphenoxy)phenyl]-1-phosphonato-butane-1-sulfonate Formula: C21H26K3O7PS MolecularWeight: 570.760601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC=CC=C1OC2=CC=CC(=C2)CCCC(P(=O)([O-])[O-])S(=O)(=O)[O-].[K+].[K+].[K+]

Isomeric SMILES

CC(C)CCC1=CC=CC=C1OC2=CC=CC(=C2)CCCC(P(=O)([O-])[O-])S(=O)(=O)[O-].[K+].[K+].[K+]

InChI

InChI=1S/C21H29O7PS.3K/c1-16(2)13-14-18-9-3-4-11-20(18)28-19-10-5-7-17(15-19)8-6-12-21(29(22,23)24)30(25,26)27;;;/h3-5,7,9-11,15-16,21H,6,8,12-14H2,1-2H3,(H2,22,23,24)(H,25,26,27);;;/q;3*+1/p-3