4-(2-phenoxyphenyl)-1-phosphono-butane-1-sulfonic acid

Systemtic Name: 4-(2-phenoxyphenyl)-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-(2-phenoxyphenyl)-1-phosphono-butane-1-sulfonic acid CAS Name: 4-(2-phenoxyphenyl)-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-(2-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-(2-phenoxyphenyl)-1-phosphono-butane-1-sulfonic acid Formula: C16H19O7PS MolecularWeight: 386.356621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2CCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2CCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C16H19O7PS/c17-24(18,19)16(25(20,21)22)12-6-8-13-7-4-5-11-15(13)23-14-9-2-1-3-10-14/h1-5,7,9-11,16H,6,8,12H2,(H2,17,18,19)(H,20,21,22)