[(E)-3-cyclohexylprop-1-enyl]phosphonic acid; 1,3-dimethylbenzene

Systemtic Name: [(E)-3-cyclohexylprop-1-enyl]phosphonic acid; 1,3-dimethylbenzene Openeye Name: [(E)-3-cyclohexylprop-1-enyl]phosphonic acid; m-xylene CAS Name: [(E)-3-cyclohexylprop-1-enyl]phosphonic acid; 1,3-xylene IUPAC Name: [(E)-3-cyclohexylprop-1-enyl]phosphonic acid; 1,3-xylene Traditional Name: [(E)-3-cyclohexylprop-1-enyl]phosphonic acid; m-xylene Formula: C17H27O3P MolecularWeight: 310.368241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C.C1CCC(CC1)CC=CP(=O)(O)O

Isomeric SMILES

CC1=CC(=CC=C1)C.C1CCC(CC1)C/C=C/P(=O)(O)O

InChI

InChI=1S/C9H17O3P.C8H10/c10-13(11,12)8-4-7-9-5-2-1-3-6-9;1-7-4-3-5-8(2)6-7/h4,8-9H,1-3,5-7H2,(H2,10,11,12);3-6H,1-2H3/b8-4+;