methyl 2-hexadecoxy-6-phosphonooxy-benzoate

Systemtic Name: methyl 2-hexadecoxy-6-phosphonooxy-benzoate Openeye Name: methyl 2-hexadecoxy-6-phosphonooxy-benzoate CAS Name: 2-hexadecoxy-6-phosphonooxybenzoic acid methyl ester IUPAC Name: methyl 2-hexadecoxy-6-phosphonooxybenzoate Traditional Name: 2-cetyloxy-6-phosphonooxy-benzoic acid methyl ester Formula: C24H41O7P MolecularWeight: 472.551901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)O)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)O)C(=O)OC

InChI

InChI=1S/C24H41O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-30-21-18-17-19-22(31-32(26,27)28)23(21)24(25)29-2/h17-19H,3-16,20H2,1-2H3,(H2,26,27,28)