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

Systemtic Name: 7-[5-(anthracen-9-ylamino)-6-methyl-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)-6-methyl-1,2,4-trioxan-3-yl]octanoic acid CAS Name: 7-[5-(9-anthracenylamino)-6-(6-hydroxy-6-oxohexyl)-6-methyl-1,2,4-trioxan-3-yl]octanoic acid IUPAC Name: 7-[5-(anthracen-9-ylamino)-6-(6-hydroxy-6-oxohexyl)-6-methyl-1,2,4-trioxan-3-yl]octanoic acid Traditional Name: 7-[5-(9-anthrylamino)-6-(6-hydroxy-6-keto-hexyl)-6-methyl-1,2,4-trioxan-3-yl]caprylic acid Formula: C32H41NO7 MolecularWeight: 551.67044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H41NO7/c1-22(13-5-3-6-18-27(34)35)30-38-31(32(2,40-39-30)20-12-4-7-19-28(36)37)33-29-25-16-10-8-14-23(25)21-24-15-9-11-17-26(24)29/h8-11,14-17,21-22,30-31,33H,3-7,12-13,18-20H2,1-2H3,(H,34,35)(H,36,37)