1-(diethoxyphosphorylmethyl)-4-octadecylsulfonyl-benzene

Systemtic Name: 1-(diethoxyphosphorylmethyl)-4-octadecylsulfonyl-benzene Openeye Name: 1-(diethoxyphosphorylmethyl)-4-octadecylsulfonyl-benzene CAS Name: 1-(diethoxyphosphorylmethyl)-4-octadecylsulfonylbenzene IUPAC Name: 1-(diethoxyphosphorylmethyl)-4-octadecylsulfonylbenzene Traditional Name: 1-(diethoxyphosphorylmethyl)-4-stearylsulfonyl-benzene Formula: C29H53O5PS MolecularWeight: 544.766881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)CP(=O)(OCC)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)CP(=O)(OCC)OCC

InChI

InChI=1S/C29H53O5PS/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-36(31,32)29-24-22-28(23-25-29)27-35(30,33-5-2)34-6-3/h22-25H,4-21,26-27H2,1-3H3