4-[3-(4-chloranylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid

Systemtic Name: 4-[3-(4-chloranylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-[3-(4-chlorophenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid CAS Name: 4-[3-(4-chlorophenoxy)phenyl]-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-[3-(4-chlorophenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-[3-(4-chlorophenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid Formula: C16H18ClO7PS MolecularWeight: 420.801681

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC=C(C=C2)Cl)CCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC=C(C=C2)Cl)CCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C16H18ClO7PS/c17-13-7-9-14(10-8-13)24-15-5-1-3-12(11-15)4-2-6-16(25(18,19)20)26(21,22)23/h1,3,5,7-11,16H,2,4,6H2,(H2,18,19,20)(H,21,22,23)