3-hexadecoxypropoxy-[(Z)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]pent-3-enyl]phosphinic acid

Systemtic Name: 3-hexadecoxypropoxy-[(Z)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]pent-3-enyl]phosphinic acid Openeye Name: 3-hexadecoxypropoxy-[(Z)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)pent-3-enyl]phosphinic acid CAS Name: 3-hexadecoxypropoxy-[(Z)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)pent-3-enyl]phosphinic acid IUPAC Name: 3-hexadecoxypropoxy-[(Z)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pent-3-enyl]phosphinic acid Traditional Name: 3-cetyloxypropoxy-[(Z)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)pent-3-enyl]phosphinic acid Formula: C29H53N2O6P MolecularWeight: 556.714681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCCCOP(=O)(CCC=CCN1C=C(C(=O)NC1=O)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCCCOP(=O)(CC/C=C\CN1C=C(C(=O)NC1=O)C)O

InChI

InChI=1S/C29H53N2O6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-36-23-20-24-37-38(34,35)25-19-16-17-21-31-26-27(2)28(32)30-29(31)33/h16-17,26H,3-15,18-25H2,1-2H3,(H,34,35)(H,30,32,33)/b17-16-