1-diethoxyphosphoryl-7-(4-propylphenoxy)heptane-1-sulfonic acid

Systemtic Name: 1-diethoxyphosphoryl-7-(4-propylphenoxy)heptane-1-sulfonic acid Openeye Name: 1-diethoxyphosphoryl-7-(4-propylphenoxy)heptane-1-sulfonic acid CAS Name: 1-diethoxyphosphoryl-7-(4-propylphenoxy)-1-heptanesulfonic acid IUPAC Name: 1-diethoxyphosphoryl-7-(4-propylphenoxy)heptane-1-sulfonic acid Traditional Name: 1-diethoxyphosphoryl-7-(4-propylphenoxy)heptane-1-sulfonic acid Formula: C20H35O7PS MolecularWeight: 450.526461

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCCCCCCC(P(=O)(OCC)OCC)S(=O)(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)OCCCCCCC(P(=O)(OCC)OCC)S(=O)(=O)O

InChI

InChI=1S/C20H35O7PS/c1-4-11-18-13-15-19(16-14-18)25-17-10-8-7-9-12-20(29(22,23)24)28(21,26-5-2)27-6-3/h13-16,20H,4-12,17H2,1-3H3,(H,22,23,24)