1-phosphono-4-[3-(2-prop-2-enylphenoxy)phenyl]butane-1-sulfonic acid

Systemtic Name: 1-phosphono-4-[3-(2-prop-2-enylphenoxy)phenyl]butane-1-sulfonic acid Openeye Name: 4-[3-(2-allylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid CAS Name: 1-phosphono-4-[3-(2-prop-2-enylphenoxy)phenyl]-1-butanesulfonic acid IUPAC Name: 1-phosphono-4-[3-(2-prop-2-enylphenoxy)phenyl]butane-1-sulfonic acid Traditional Name: 4-[3-(2-allylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid Formula: C19H23O7PS MolecularWeight: 426.420481

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OC2=CC=CC(=C2)CCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

C=CCC1=CC=CC=C1OC2=CC=CC(=C2)CCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C19H23O7PS/c1-2-7-16-10-3-4-12-18(16)26-17-11-5-8-15(14-17)9-6-13-19(27(20,21)22)28(23,24)25/h2-5,8,10-12,14,19H,1,6-7,9,13H2,(H2,20,21,22)(H,23,24,25)