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

Systemtic Name: 4-[4-(2-oxidanyl-4-propyl-phenyl)phenyl]-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-[4-(2-hydroxy-4-propyl-phenyl)phenyl]-1-phosphono-butane-1-sulfonic acid CAS Name: 4-[4-(2-hydroxy-4-propylphenyl)phenyl]-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-[4-(2-hydroxy-4-propylphenyl)phenyl]-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-[4-(2-hydroxy-4-propyl-phenyl)phenyl]-1-phosphono-butane-1-sulfonic acid Formula: C19H25O7PS MolecularWeight: 428.436361

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)C2=CC=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O)O

Isomeric SMILES

CCCC1=CC(=C(C=C1)C2=CC=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O)O

InChI

InChI=1S/C19H25O7PS/c1-2-4-15-9-12-17(18(20)13-15)16-10-7-14(8-11-16)5-3-6-19(27(21,22)23)28(24,25)26/h7-13,19-20H,2-6H2,1H3,(H2,21,22,23)(H,24,25,26)