1-diethoxyphosphoryl-4-[3-[2-(3-methylbutyl)phenoxy]phenyl]butane-1-sulfonic acid

Systemtic Name: 1-diethoxyphosphoryl-4-[3-[2-(3-methylbutyl)phenoxy]phenyl]butane-1-sulfonic acid Openeye Name: 1-diethoxyphosphoryl-4-[3-(2-isopentylphenoxy)phenyl]butane-1-sulfonic acid CAS Name: 1-diethoxyphosphoryl-4-[3-[2-(3-methylbutyl)phenoxy]phenyl]-1-butanesulfonic acid IUPAC Name: 1-diethoxyphosphoryl-4-[3-[2-(3-methylbutyl)phenoxy]phenyl]butane-1-sulfonic acid Traditional Name: 1-diethoxyphosphoryl-4-[3-(2-isoamylphenoxy)phenyl]butane-1-sulfonic acid Formula: C25H37O7PS MolecularWeight: 512.595841

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=CC=C2CCC(C)C)S(=O)(=O)O)OCC

Isomeric SMILES

CCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=CC=C2CCC(C)C)S(=O)(=O)O)OCC

InChI

InChI=1S/C25H37O7PS/c1-5-30-33(26,31-6-2)25(34(27,28)29)16-10-12-21-11-9-14-23(19-21)32-24-15-8-7-13-22(24)18-17-20(3)4/h7-9,11,13-15,19-20,25H,5-6,10,12,16-18H2,1-4H3,(H,27,28,29)