3-oxidanylpropylphosphonic acid; propyl 4-methylbenzenesulfonate

Systemtic Name: 3-oxidanylpropylphosphonic acid; propyl 4-methylbenzenesulfonate Openeye Name: 3-hydroxypropylphosphonic acid; propyl 4-methylbenzenesulfonate CAS Name: 3-hydroxypropylphosphonic acid; 4-methylbenzenesulfonic acid propyl ester IUPAC Name: 3-hydroxypropylphosphonic acid; propyl 4-methylbenzenesulfonate Traditional Name: 3-hydroxypropylphosphonic acid; 4-methylbenzenesulfonic acid propyl ester Formula: C13H23O7PS MolecularWeight: 354.356281

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Descriptors Computed from Structure

Canonical SMILES:

CCCOS(=O)(=O)C1=CC=C(C=C1)C.C(CO)CP(=O)(O)O

Isomeric SMILES

CCCOS(=O)(=O)C1=CC=C(C=C1)C.C(CO)CP(=O)(O)O

InChI

InChI=1S/C10H14O3S.C3H9O4P/c1-3-8-13-14(11,12)10-6-4-9(2)5-7-10;4-2-1-3-8(5,6)7/h4-7H,3,8H2,1-2H3;4H,1-3H2,(H2,5,6,7)