4-[4-(2,6-dimethylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid

Systemtic Name: 4-[4-(2,6-dimethylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-[4-(2,6-dimethylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid CAS Name: 4-[4-(2,6-dimethylphenoxy)phenyl]-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-[4-(2,6-dimethylphenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-[4-(2,6-dimethylphenoxy)phenyl]-1-phosphono-butane-1-sulfonic acid Formula: C18H23O7PS MolecularWeight: 414.409781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC2=CC=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC2=CC=C(C=C2)CCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C18H23O7PS/c1-13-5-3-6-14(2)18(13)25-16-11-9-15(10-12-16)7-4-8-17(26(19,20)21)27(22,23)24/h3,5-6,9-12,17H,4,7-8H2,1-2H3,(H2,19,20,21)(H,22,23,24)