3-[2-(dodecanoylamino)phenoxy]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-olate

Systemtic Name: 3-[2-(dodecanoylamino)phenoxy]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-olate Openeye Name: 3-[2-(dodecanoylamino)phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-olate CAS Name: 4,5-dihydroxy-6-(hydroxymethyl)-3-[2-(1-oxododecylamino)phenoxy]-2-oxanolate IUPAC Name: 3-[2-(dodecanoylamino)phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate Traditional Name: 4,5-dihydroxy-3-[2-(lauroylamino)phenoxy]-6-methylol-tetrahydropyran-2-olate Formula: C24H38NO7- MolecularWeight: 452.56102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=CC=CC=C1OC2C(C(C(OC2[O-])CO)O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=CC=CC=C1OC2C(C(C(OC2[O-])CO)O)O

InChI

InChI=1S/C24H38NO7/c1-2-3-4-5-6-7-8-9-10-15-20(27)25-17-13-11-12-14-18(17)31-23-22(29)21(28)19(16-26)32-24(23)30/h11-14,19,21-24,26,28-29H,2-10,15-16H2,1H3,(H,25,27)/q-1