tert-butyl 3-(1,3-benzodioxol-5-yl)-2-diethoxyphosphoryl-5-oxidanyl-hexanoate

Systemtic Name: tert-butyl 3-(1,3-benzodioxol-5-yl)-2-diethoxyphosphoryl-5-oxidanyl-hexanoate Openeye Name: tert-butyl 3-(1,3-benzodioxol-5-yl)-2-diethoxyphosphoryl-5-hydroxy-hexanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-diethoxyphosphoryl-5-hydroxyhexanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(1,3-benzodioxol-5-yl)-2-diethoxyphosphoryl-5-hydroxyhexanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-diethoxyphosphoryl-5-hydroxy-hexanoic acid tert-butyl ester Formula: C21H33O8P MolecularWeight: 444.455681

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C(CC(C)O)C1=CC2=C(C=C1)OCO2)C(=O)OC(C)(C)C)OCC

Isomeric SMILES

CCOP(=O)(C(C(CC(C)O)C1=CC2=C(C=C1)OCO2)C(=O)OC(C)(C)C)OCC

InChI

InChI=1S/C21H33O8P/c1-7-27-30(24,28-8-2)19(20(23)29-21(4,5)6)16(11-14(3)22)15-9-10-17-18(12-15)26-13-25-17/h9-10,12,14,16,19,22H,7-8,11,13H2,1-6H3