4-[3-[2-(2-methoxyethyl)phenoxy]phenyl]-1-phosphono-butane-1-sulfonic acid

Systemtic Name: 4-[3-[2-(2-methoxyethyl)phenoxy]phenyl]-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-[3-[2-(2-methoxyethyl)phenoxy]phenyl]-1-phosphono-butane-1-sulfonic acid CAS Name: 4-[3-[2-(2-methoxyethyl)phenoxy]phenyl]-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-[3-[2-(2-methoxyethyl)phenoxy]phenyl]-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-[3-[2-(2-methoxyethyl)phenoxy]phenyl]-1-phosphono-butane-1-sulfonic acid Formula: C19H25O8PS MolecularWeight: 444.435761

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Descriptors Computed from Structure

Canonical SMILES:

COCCC1=CC=CC=C1OC2=CC=CC(=C2)CCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

COCCC1=CC=CC=C1OC2=CC=CC(=C2)CCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C19H25O8PS/c1-26-13-12-16-8-2-3-10-18(16)27-17-9-4-6-15(14-17)7-5-11-19(28(20,21)22)29(23,24)25/h2-4,6,8-10,14,19H,5,7,11-13H2,1H3,(H2,20,21,22)(H,23,24,25)