(1R)-4-(3-phenoxyphenyl)-1-phosphono-butane-1-sulfonic acid

Systemtic Name: (1R)-4-(3-phenoxyphenyl)-1-phosphono-butane-1-sulfonic acid Openeye Name: (1R)-4-(3-phenoxyphenyl)-1-phosphono-butane-1-sulfonic acid CAS Name: (1R)-4-(3-phenoxyphenyl)-1-phosphono-1-butanesulfonic acid IUPAC Name: (1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid Traditional Name: (1R)-4-(3-phenoxyphenyl)-1-phosphono-butane-1-sulfonic acid Formula: C16H19O7PS MolecularWeight: 386.356621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)CCC[C@H](P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C16H19O7PS/c17-24(18,19)16(25(20,21)22)11-5-7-13-6-4-10-15(12-13)23-14-8-2-1-3-9-14/h1-4,6,8-10,12,16H,5,7,11H2,(H2,17,18,19)(H,20,21,22)/t16-/m1/s1