4-(2-methoxycarbonylphenyl)sulfanylbutylphosphonic acid

Systemtic Name: 4-(2-methoxycarbonylphenyl)sulfanylbutylphosphonic acid Openeye Name: 4-(2-methoxycarbonylphenyl)sulfanylbutylphosphonic acid CAS Name: 4-[(2-methoxycarbonylphenyl)thio]butylphosphonic acid IUPAC Name: 4-(2-methoxycarbonylphenyl)sulfanylbutylphosphonic acid Traditional Name: 4-[(2-carbomethoxyphenyl)thio]butylphosphonic acid Formula: C12H17O5PS MolecularWeight: 304.299141

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SCCCCP(=O)(O)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1SCCCCP(=O)(O)O

InChI

InChI=1S/C12H17O5PS/c1-17-12(13)10-6-2-3-7-11(10)19-9-5-4-8-18(14,15)16/h2-3,6-7H,4-5,8-9H2,1H3,(H2,14,15,16)