methyl 2-[[3-(bromomethyl)phenoxy]-oxidanyl-phosphoryl]oxy-6-tetradecoxy-benzoate

Systemtic Name: methyl 2-[[3-(bromomethyl)phenoxy]-oxidanyl-phosphoryl]oxy-6-tetradecoxy-benzoate Openeye Name: methyl 2-[[3-(bromomethyl)phenoxy]-hydroxy-phosphoryl]oxy-6-tetradecoxy-benzoate CAS Name: 2-[[3-(bromomethyl)phenoxy]-hydroxyphosphoryl]oxy-6-tetradecoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[3-(bromomethyl)phenoxy]-hydroxyphosphoryl]oxy-6-tetradecoxybenzoate Traditional Name: 2-[[3-(bromomethyl)phenoxy]-hydroxy-phosphoryl]oxy-6-myristyloxy-benzoic acid methyl ester Formula: C29H42BrO7P MolecularWeight: 613.517341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2)CBr)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2)CBr)C(=O)OC

InChI

InChI=1S/C29H42BrO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-35-26-19-16-20-27(28(26)29(31)34-2)37-38(32,33)36-25-18-15-17-24(22-25)23-30/h15-20,22H,3-14,21,23H2,1-2H3,(H,32,33)