4-[3-[2,3-bis(chloranyl)phenoxy]phenyl]-1-phosphono-butane-1-sulfonic acid

Systemtic Name: 4-[3-[2,3-bis(chloranyl)phenoxy]phenyl]-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-[3-(2,3-dichlorophenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid CAS Name: 4-[3-(2,3-dichlorophenoxy)phenyl]-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-[3-(2,3-dichlorophenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-[3-(2,3-dichlorophenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid Formula: C16H17Cl2O7PS MolecularWeight: 455.246741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17Cl2O7PS/c17-13-7-3-8-14(16(13)18)25-12-6-1-4-11(10-12)5-2-9-15(26(19,20)21)27(22,23)24/h1,3-4,6-8,10,15H,2,5,9H2,(H2,19,20,21)(H,22,23,24)