7-[5-(anthracen-9-ylamino)-6-(6-oxidanyl-6-oxidanylidene-hexyl)-1,2,4-trioxan-3-yl]octanoic acid

Systemtic Name: 7-[5-(anthracen-9-ylamino)-6-(6-oxidanyl-6-oxidanylidene-hexyl)-1,2,4-trioxan-3-yl]octanoic acid Openeye Name: 7-[5-(9-anthrylamino)-6-(6-hydroxy-6-oxo-hexyl)-1,2,4-trioxan-3-yl]octanoic acid CAS Name: 7-[5-(9-anthracenylamino)-6-(6-hydroxy-6-oxohexyl)-1,2,4-trioxan-3-yl]octanoic acid IUPAC Name: 7-[5-(anthracen-9-ylamino)-6-(6-hydroxy-6-oxohexyl)-1,2,4-trioxan-3-yl]octanoic acid Traditional Name: 7-[5-(9-anthrylamino)-6-(6-hydroxy-6-keto-hexyl)-1,2,4-trioxan-3-yl]caprylic acid Formula: C31H39NO7 MolecularWeight: 537.64386

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCC(=O)O)C1OC(C(OO1)CCCCCC(=O)O)NC2=C3C=CC=CC3=CC4=CC=CC=C42

Isomeric SMILES

CC(CCCCCC(=O)O)C1OC(C(OO1)CCCCCC(=O)O)NC2=C3C=CC=CC3=CC4=CC=CC=C42

InChI

InChI=1S/C31H39NO7/c1-21(12-4-2-6-18-27(33)34)31-37-30(26(38-39-31)17-5-3-7-19-28(35)36)32-29-24-15-10-8-13-22(24)20-23-14-9-11-16-25(23)29/h8-11,13-16,20-21,26,30-32H,2-7,12,17-19H2,1H3,(H,33,34)(H,35,36)