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

Systemtic Name: 1-diethoxyphosphoryl-4-[3-(2-methylphenoxy)phenyl]butane-1-sulfonic acid Openeye Name: 1-diethoxyphosphoryl-4-[3-(2-methylphenoxy)phenyl]butane-1-sulfonic acid CAS Name: 1-diethoxyphosphoryl-4-[3-(2-methylphenoxy)phenyl]-1-butanesulfonic acid IUPAC Name: 1-diethoxyphosphoryl-4-[3-(2-methylphenoxy)phenyl]butane-1-sulfonic acid Traditional Name: 1-diethoxyphosphoryl-4-[3-(2-methylphenoxy)phenyl]butane-1-sulfonic acid Formula: C21H29O7PS MolecularWeight: 456.489521

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=CC=C2C)S(=O)(=O)O)OCC

Isomeric SMILES

CCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=CC=C2C)S(=O)(=O)O)OCC

InChI

InChI=1S/C21H29O7PS/c1-4-26-29(22,27-5-2)21(30(23,24)25)15-9-12-18-11-8-13-19(16-18)28-20-14-7-6-10-17(20)3/h6-8,10-11,13-14,16,21H,4-5,9,12,15H2,1-3H3,(H,23,24,25)