[7-hexadecanoyl-6-hexadecanoyloxy-3-(hydroxymethyl)-1,4-dioxepan-2-yl]phosphonic acid

Systemtic Name: [7-hexadecanoyl-6-hexadecanoyloxy-3-(hydroxymethyl)-1,4-dioxepan-2-yl]phosphonic acid Openeye Name: [7-hexadecanoyl-6-hexadecanoyloxy-3-(hydroxymethyl)-1,4-dioxepan-2-yl]phosphonic acid CAS Name: [3-(hydroxymethyl)-6-(1-oxohexadecoxy)-7-(1-oxohexadecyl)-1,4-dioxepan-2-yl]phosphonic acid IUPAC Name: [7-hexadecanoyl-6-hexadecanoyloxy-3-(hydroxymethyl)-1,4-dioxepan-2-yl]phosphonic acid Traditional Name: (7-hexadecanoyl-6-hexadecanoyloxy-3-methylol-1,4-dioxepan-2-yl)phosphonic acid Formula: C38H73O9P MolecularWeight: 704.954581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C1C(COC(C(O1)P(=O)(O)O)CO)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C1C(COC(C(O1)P(=O)(O)O)CO)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C38H73O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(40)37-35(32-45-34(31-39)38(47-37)48(42,43)44)46-36(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,37-39H,3-32H2,1-2H3,(H2,42,43,44)