[3-(1-benzothiophen-2-ylmethyl)-4-(2-hydroxyethyloxy)phenyl]carbonylphosphonic acid

Systemtic Name: [3-(1-benzothiophen-2-ylmethyl)-4-(2-hydroxyethyloxy)phenyl]carbonylphosphonic acid Openeye Name: [3-(benzothiophen-2-ylmethyl)-4-(2-hydroxyethoxy)benzoyl]phosphonic acid CAS Name: [[3-(1-benzothiophen-2-ylmethyl)-4-(2-hydroxyethoxy)phenyl]-oxomethyl]phosphonic acid IUPAC Name: [3-(1-benzothiophen-2-ylmethyl)-4-(2-hydroxyethoxy)benzoyl]phosphonic acid Traditional Name: [3-(benzothiophen-2-ylmethyl)-4-(2-hydroxyethoxy)benzoyl]phosphonic acid Formula: C18H17O6PS MolecularWeight: 392.362741

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)CC3=C(C=CC(=C3)C(=O)P(=O)(O)O)OCCO

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)CC3=C(C=CC(=C3)C(=O)P(=O)(O)O)OCCO

InChI

InChI=1S/C18H17O6PS/c19-7-8-24-16-6-5-13(18(20)25(21,22)23)9-14(16)11-15-10-12-3-1-2-4-17(12)26-15/h1-6,9-10,19H,7-8,11H2,(H2,21,22,23)