[3-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]oxy-2-oxidanyl-propyl] dodecanoate

Systemtic Name: [3-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]oxy-2-oxidanyl-propyl] dodecanoate Openeye Name: [3-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]oxy-2-hydroxy-propyl] dodecanoate CAS Name: dodecanoic acid [3-[(2S)-2-acetamido-3-(4-hydroxyphenyl)-1-oxopropoxy]-2-hydroxypropyl] ester IUPAC Name: [3-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]oxy-2-hydroxypropyl] dodecanoate Traditional Name: lauric acid [3-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]oxy-2-hydroxy-propyl] ester Formula: C26H41NO7 MolecularWeight: 479.60624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC(COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C)O

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC(COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C)O

InChI

InChI=1S/C26H41NO7/c1-3-4-5-6-7-8-9-10-11-12-25(31)33-18-23(30)19-34-26(32)24(27-20(2)28)17-21-13-15-22(29)16-14-21/h13-16,23-24,29-30H,3-12,17-19H2,1-2H3,(H,27,28)/t23?,24-/m0/s1