3-(3-phenoxyphenyl)-1-phosphono-propane-1-sulfonic acid

Systemtic Name: 3-(3-phenoxyphenyl)-1-phosphono-propane-1-sulfonic acid Openeye Name: 3-(3-phenoxyphenyl)-1-phosphono-propane-1-sulfonic acid CAS Name: 3-(3-phenoxyphenyl)-1-phosphono-1-propanesulfonic acid IUPAC Name: 3-(3-phenoxyphenyl)-1-phosphonopropane-1-sulfonic acid Traditional Name: 3-(3-phenoxyphenyl)-1-phosphono-propane-1-sulfonic acid Formula: C15H17O7PS MolecularWeight: 372.330041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)CCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)CCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C15H17O7PS/c16-23(17,18)15(24(19,20)21)10-9-12-5-4-8-14(11-12)22-13-6-2-1-3-7-13/h1-8,11,15H,9-10H2,(H2,16,17,18)(H,19,20,21)