3-[2-[(2R,3S,4R,5S,6R)-6-(hexadecoxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[(2R,3S,4R,5S,6R)-6-(hexadecoxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[(2R,3S,4R,5S,6R)-6-(hexadecoxymethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[(2R,3S,4R,5S,6R)-6-(hexadecoxymethyl)-3,4,5-trihydroxy-2-oxanyl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(2R,3S,4R,5S,6R)-6-(hexadecoxymethyl)-3,4,5-trihydroxyoxan-2-yl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[(2R,3S,4R,5S,6R)-6-(cetyloxymethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]acetyl]amino]benzoic acid Formula: C31H51NO8 MolecularWeight: 565.73854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1C(C(C(C(O1)CC(=O)NC2=CC=CC(=C2)C(=O)O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CC(=O)NC2=CC=CC(=C2)C(=O)O)O)O)O

InChI

InChI=1S/C31H51NO8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-39-22-26-29(35)30(36)28(34)25(40-26)21-27(33)32-24-18-16-17-23(20-24)31(37)38/h16-18,20,25-26,28-30,34-36H,2-15,19,21-22H2,1H3,(H,32,33)(H,37,38)/t25-,26-,28-,29-,30-/m1/s1