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

Systemtic Name: 1-phosphono-4-[4-(4-propylphenyl)phenyl]butane-1-sulfonic acid Openeye Name: 1-phosphono-4-[4-(4-propylphenyl)phenyl]butane-1-sulfonic acid CAS Name: 1-phosphono-4-[4-(4-propylphenyl)phenyl]-1-butanesulfonic acid IUPAC Name: 1-phosphono-4-[4-(4-propylphenyl)phenyl]butane-1-sulfonic acid Traditional Name: 1-phosphono-4-[4-(4-propylphenyl)phenyl]butane-1-sulfonic acid Formula: C19H25O6PS MolecularWeight: 412.436961

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H25O6PS/c1-2-4-15-7-11-17(12-8-15)18-13-9-16(10-14-18)5-3-6-19(26(20,21)22)27(23,24)25/h7-14,19H,2-6H2,1H3,(H2,20,21,22)(H,23,24,25)