4-[4-(1-benzofuran-2-yl)phenyl]-1-phosphono-butane-1-sulfonic acid

Systemtic Name: 4-[4-(1-benzofuran-2-yl)phenyl]-1-phosphono-butane-1-sulfonic acid Openeye Name: 4-[4-(benzofuran-2-yl)phenyl]-1-phosphono-butane-1-sulfonic acid CAS Name: 4-[4-(2-benzofuranyl)phenyl]-1-phosphono-1-butanesulfonic acid IUPAC Name: 4-[4-(1-benzofuran-2-yl)phenyl]-1-phosphonobutane-1-sulfonic acid Traditional Name: 4-[4-(benzofuran-2-yl)phenyl]-1-phosphono-butane-1-sulfonic acid Formula: C18H19O7PS MolecularWeight: 410.378021

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C3=CC=C(C=C3)CCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C3=CC=C(C=C3)CCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C18H19O7PS/c19-26(20,21)18(27(22,23)24)7-3-4-13-8-10-14(11-9-13)17-12-15-5-1-2-6-16(15)25-17/h1-2,5-6,8-12,18H,3-4,7H2,(H2,19,20,21)(H,22,23,24)