1-diethoxyphosphoryl-4-[4-(5-methylhex-4-enoxy)phenyl]butane-1-sulfonic acid

Systemtic Name: 1-diethoxyphosphoryl-4-[4-(5-methylhex-4-enoxy)phenyl]butane-1-sulfonic acid Openeye Name: 1-diethoxyphosphoryl-4-[4-(5-methylhex-4-enoxy)phenyl]butane-1-sulfonic acid CAS Name: 1-diethoxyphosphoryl-4-[4-(5-methylhex-4-enoxy)phenyl]-1-butanesulfonic acid IUPAC Name: 1-diethoxyphosphoryl-4-[4-(5-methylhex-4-enoxy)phenyl]butane-1-sulfonic acid Traditional Name: 1-diethoxyphosphoryl-4-[4-(5-methylhex-4-enoxy)phenyl]butane-1-sulfonic acid Formula: C21H35O7PS MolecularWeight: 462.537161

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCCC1=CC=C(C=C1)OCCCC=C(C)C)S(=O)(=O)O)OCC

Isomeric SMILES

CCOP(=O)(C(CCCC1=CC=C(C=C1)OCCCC=C(C)C)S(=O)(=O)O)OCC

InChI

InChI=1S/C21H35O7PS/c1-5-27-29(22,28-6-2)21(30(23,24)25)12-9-11-19-13-15-20(16-14-19)26-17-8-7-10-18(3)4/h10,13-16,21H,5-9,11-12,17H2,1-4H3,(H,23,24,25)