[3-(2-methylhexadecoxy)-2-propanoyloxy-propoxy]-(2-pyrrolidin-1-ylethyl)phosphinic acid

Systemtic Name: [3-(2-methylhexadecoxy)-2-propanoyloxy-propoxy]-(2-pyrrolidin-1-ylethyl)phosphinic acid Openeye Name: [3-(2-methylhexadecoxy)-2-propanoyloxy-propoxy]-(2-pyrrolidin-1-ylethyl)phosphinic acid CAS Name: [3-(2-methylhexadecoxy)-2-(1-oxopropoxy)propoxy]-[2-(1-pyrrolidinyl)ethyl]phosphinic acid IUPAC Name: [3-(2-methylhexadecoxy)-2-propanoyloxypropoxy]-(2-pyrrolidin-1-ylethyl)phosphinic acid Traditional Name: [3-(2-methylhexadecoxy)-2-propionyloxy-propoxy]-(2-pyrrolidinoethyl)phosphinic acid Formula: C29H58NO6P MolecularWeight: 547.747681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)COCC(COP(=O)(CCN1CCCC1)O)OC(=O)CC

Isomeric SMILES

CCCCCCCCCCCCCCC(C)COCC(COP(=O)(CCN1CCCC1)O)OC(=O)CC

InChI

InChI=1S/C29H58NO6P/c1-4-6-7-8-9-10-11-12-13-14-15-16-19-27(3)24-34-25-28(36-29(31)5-2)26-35-37(32,33)23-22-30-20-17-18-21-30/h27-28H,4-26H2,1-3H3,(H,32,33)