4-[4-(2-butylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid

Systemtic Name: 4-[4-(2-butylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-[4-(2-butylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid CAS Name: 4-[4-(2-butylphenoxy)phenyl]-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-[4-(2-butylphenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-[4-(2-butylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid Formula: C20H27O7PS MolecularWeight: 442.462941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1OC2=CC=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

CCCCC1=CC=CC=C1OC2=CC=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C20H27O7PS/c1-2-3-8-17-9-4-5-10-19(17)27-18-14-12-16(13-15-18)7-6-11-20(28(21,22)23)29(24,25)26/h4-5,9-10,12-15,20H,2-3,6-8,11H2,1H3,(H2,21,22,23)(H,24,25,26)