sodium [7-hexadecanoyl-6-hexadecanoyloxy-3-(hydroxymethyl)-1,4-dioxepan-2-yl]-oxidanyl-phosphinate

Systemtic Name: sodium [7-hexadecanoyl-6-hexadecanoyloxy-3-(hydroxymethyl)-1,4-dioxepan-2-yl]-oxidanyl-phosphinate Openeye Name: sodium [7-hexadecanoyl-6-hexadecanoyloxy-3-(hydroxymethyl)-1,4-dioxepan-2-yl]-hydroxy-phosphinate CAS Name: sodium hydroxy-[3-(hydroxymethyl)-6-(1-oxohexadecoxy)-7-(1-oxohexadecyl)-1,4-dioxepan-2-yl]phosphinate IUPAC Name: sodium [7-hexadecanoyl-6-hexadecanoyloxy-3-(hydroxymethyl)-1,4-dioxepan-2-yl]-hydroxyphosphinate Traditional Name: sodium (7-hexadecanoyl-6-hexadecanoyloxy-3-methylol-1,4-dioxepan-2-yl)-hydroxy-phosphinate Formula: C38H72NaO9P MolecularWeight: 726.936411

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C1C(COC(C(O1)P(=O)(O)[O-])CO)OC(=O)CCCCCCCCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C1C(COC(C(O1)P(=O)(O)[O-])CO)OC(=O)CCCCCCCCCCCCCCC.[Na+]

InChI

InChI=1S/C38H73O9P.Na/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);/q;+1/p-1