[4-(3-chloranyl-1-benzothiophen-2-yl)-2-oxidanylidene-butyl]phosphonic acid

Systemtic Name: [4-(3-chloranyl-1-benzothiophen-2-yl)-2-oxidanylidene-butyl]phosphonic acid Openeye Name: [4-(3-chlorobenzothiophen-2-yl)-2-oxo-butyl]phosphonic acid CAS Name: [4-(3-chloro-1-benzothiophen-2-yl)-2-oxobutyl]phosphonic acid IUPAC Name: [4-(3-chloro-1-benzothiophen-2-yl)-2-oxobutyl]phosphonic acid Traditional Name: [4-(3-chlorobenzothiophen-2-yl)-2-keto-butyl]phosphonic acid Formula: C12H12ClO4PS MolecularWeight: 318.713041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)CCC(=O)CP(=O)(O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)CCC(=O)CP(=O)(O)O)Cl

InChI

InChI=1S/C12H12ClO4PS/c13-12-9-3-1-2-4-10(9)19-11(12)6-5-8(14)7-18(15,16)17/h1-4H,5-7H2,(H2,15,16,17)