cyclohexyl 1-diethoxyphosphoryl-4-[3-[4-(furan-2-yl)phenoxy]phenyl]butane-1-sulfonate

Systemtic Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-[4-(furan-2-yl)phenoxy]phenyl]butane-1-sulfonate Openeye Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-[4-(2-furyl)phenoxy]phenyl]butane-1-sulfonate CAS Name: 1-diethoxyphosphoryl-4-[3-[4-(2-furanyl)phenoxy]phenyl]-1-butanesulfonic acid IUPAC Name: cyclohexyl 1-diethoxyphosphoryl-4-[3-[4-(furan-2-yl)phenoxy]phenyl]butane-1-sulfonate Traditional Name: 1-diethoxyphosphoryl-4-[3-[4-(2-furyl)phenoxy]phenyl]butane-1-sulfonic acid cyclohexyl ester Formula: C30H39O8PS MolecularWeight: 590.664621

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=C(C=C2)C3=CC=CO3)S(=O)(=O)OC4CCCCC4)OCC

Isomeric SMILES

CCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=C(C=C2)C3=CC=CO3)S(=O)(=O)OC4CCCCC4)OCC

InChI

InChI=1S/C30H39O8PS/c1-3-35-39(31,36-4-2)30(40(32,33)38-27-13-6-5-7-14-27)17-9-12-24-11-8-15-28(23-24)37-26-20-18-25(19-21-26)29-16-10-22-34-29/h8,10-11,15-16,18-23,27,30H,3-7,9,12-14,17H2,1-2H3